SCHEMBL2461665

SCHEMBL2461665

CSc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.64
ERN1 O75460 1/20 0.51
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PDE7A Q13946 1/20 0.42
CXCR1 P25024 1/20 0.42

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
SCHEMBL3384869 0.82 PDE7A (0.58) KMT2ATDP1MEN1MAPTSMN1; SMN2
SCHEMBL9538701 0.81 GPR35 (0.58) GPR35ERN1KMT2ATDP1MEN1
SCHEMBL1077970 0.80 GPR35 (1.00) GPR35ERN1KMT2ATDP1MEN1
SCHEMBL18185040 0.79 TDP1 (0.67) GPR35KMT2ATDP1MEN1POLB
SCHEMBL6673312 0.78 PDE7A (0.50) GPR35KMT2ATDP1MEN1MAPT
SCHEMBL3044275 0.78 TDP1 (0.48) GPR35KMT2ATDP1MEN1TSHR
SCHEMBL30135314 0.78 GPR35 (0.95) GPR35ERN1KMT2ATDP1MEN1
SCHEMBL11228321 0.78 GPR35 (0.95) GPR35ERN1KMT2ATDP1MEN1
SCHEMBL11228314 0.78 GPR35 (0.95) GPR35ERN1KMT2ATDP1MEN1
SCHEMBL8675771 0.76 TDP1 (0.60) GPR35KMT2ATDP1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114358-A Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2019-08-09 CN disclosed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 WO disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP 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 (2 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-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 GPR35 263/4885ERN1 1694/4885KMT2A 1665/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 GPR35 3427/4885ERN1 1089/4885KMT2A 433/4885

“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.