SCHEMBL5656915

SCHEMBL5656915

O=C(NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA2 P00918 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
EPHX1 P07099 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
GSTO1 P78417 1/20 0.51
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRM2 P08172 1/20 0.47
PTPRF P10586 1/20 0.47

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
SCHEMBL113771 0.84 ALDH1A1 (0.66) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL3442245 0.82 PTPN1 (0.57) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL1521016 0.80 PTPRF (0.57) SMN1; SMN2L3MBTL1MEN1KMT2ACA2
SCHEMBL27968659 0.80 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ACA2MAOA
SCHEMBL27447146 0.79 CYP2C19 (0.56) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5623968 0.78 ALDH1A1 (0.84) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL1804701 0.78 NPC1 (0.58) ALDH1A1GLASMN1; SMN2L3MBTL1MEN1
SCHEMBL4587574 0.78 CA2 (0.55) L3MBTL1MEN1KMT2ACA2MAOA
SCHEMBL4587579 0.78 CA2 (0.58) L3MBTL1MEN1KMT2ACA2MAOA
SCHEMBL30285895 0.78 KMT2A (0.54) ALDH1A1GLAHPGDALOX12SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1997021666-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 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 (1 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ALDH1A1 519/4885GLA 2961/4885HPGD 2817/4885

“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.