SCHEMBL909616

SCHEMBL909616

O=c1[nH]cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
LMNA P02545 2/20 0.44
PDE7A Q13946 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14959667 0.82 ALDH1A1 (0.36) ALDH1A1GLALMNAPDE7A
SCHEMBL27283771 0.76 ALDH1A1 (0.47) ALDH1A1GLALMNAPDE7APOLB
SCHEMBL28651135 0.76 ALDH1A1 (0.61) ALDH1A1GLALMNAKDM4EMEN1
SCHEMBL25314143 0.75 ALDH1A1 (0.51) ALDH1A1GLALMNAKDM4EPOLB
SCHEMBL3293088 0.73 ALDH1A1 (0.63) ALDH1A1GLALMNAKDM4EMEN1
SCHEMBL11645181 0.72 ALDH1A1 (0.61) ALDH1A1GLALMNAKDM4EPOLB
SCHEMBL10651010 0.72 ALDH1A1 (0.61) ALDH1A1GLAPDE7AKDM4EMEN1
SCHEMBL2070952 0.72 ALDH1A1 (0.61) ALDH1A1GLAKDM4ECYP3A4TSHR
SCHEMBL28282461 0.72 ALDH1A1 (1.00) ALDH1A1GLALMNAKDM4EMEN1
SCHEMBL1849598 0.71 GLA (0.56) ALDH1A1GLALMNAKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
US-20260001830-A1 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS SCRIPPS RESEARCH INST (US) 2026-01-01 US disclosed
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 US disclosed
EP-4472942-A2 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS The Scripps Research Institute (US) 2024-12-11 EP disclosed
US-20240293383-A1 SUBSTITUTED DIAZASPIROALKANES AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-09-05 US disclosed
WO-2023147545-A9 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-08-29 WO disclosed
CN-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 CN disclosed
EP-4385574-A2 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES The Regents of the University of California (US) 2024-06-19 EP disclosed
US-11771687-B2 Substituted diazaspiroalkanes as androgen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-03 US disclosed
US-11771687-B2 Substituted diazaspiroalkanes as androgen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-03 US disclosed
US-20110003839-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-06 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
EP-2004181-A2 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES The Regents of the University of California (US) 2008-12-24 EP disclosed
WO-2007126765-A2 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240293383-A1 SUBSTITUTED DIAZASPIROALKANES AS ANDROGEN RECEPTOR MODULATORS AR, HRAS, NR5A1 ALDH1A1 498/4885GLA 2882/4885LMNA 3194/4885
US-11771687-B2 Substituted diazaspiroalkanes as androgen receptor modulators AR, HRAS, NR5A1 ALDH1A1 498/4885GLA 2882/4885LMNA 3194/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP ALDH1A1 1025/4885GLA 1177/4885LMNA 4318/4885
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 ALDH1A1 1223/4885GLA 3769/4885LMNA 2946/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 ALDH1A1 1426/4885GLA 2220/4885LMNA 1761/4885
US-20110003839-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES AR, NR5A1, SHBG ALDH1A1 991/4885GLA 1410/4885LMNA 2971/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 ALDH1A1 512/4885GLA 3720/4885LMNA 4491/4885
US-20260001830-A1 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS PDCD1LG2, PDCD1, CD274 ALDH1A1 177/4885GLA 1569/4885LMNA 2269/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 ALDH1A1 2267/4885GLA 3962/4885LMNA 2201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.