SCHEMBL10055046

SCHEMBL10055046

O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.68
PTPN2 P17706 1/20 0.68
PTPN1 P18031 1/20 0.68
PTPN11 Q06124 1/20 0.68
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.57
DDX3X O00571 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL5605070 0.93 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL14950721 0.91 ALDH1A1 (0.58) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL6699468 0.90 PTPRF (0.78) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL18434341 0.89 PTPRF (0.55) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL20183537 0.85 KMT2A (0.59) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL29689011 0.84 KMT2A (0.61) MAPTALDH1A1MEN1KMT2ADDX3X
SCHEMBL20183626 0.84 PTPRF (0.68) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL7338580 0.83 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL18610496 0.83 PTPRF (0.68) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL10558008 0.82 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2021-12-30 US disclosed
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-20140248236-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY 2014-09-04 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
WO-2013070660-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2013-05-16 WO disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
WO-2008008854-A9 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2008-03-27 WO disclosed
WO-2008008854-A2 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2008-01-17 WO disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US 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-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885
US-20140248236-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 PTPRF 403/4885PTPN2 1345/4885PTPN1 1124/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 PTPRF 403/4885PTPN2 1345/4885PTPN1 1124/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 PTPRF 403/4885PTPN2 1345/4885PTPN1 1124/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS PTPRF 1574/4885PTPN2 3127/4885PTPN1 3150/4885

“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.