SCHEMBL1128959

SCHEMBL1128959

O=[N+]([O-])c1cc(Oc2ccccc2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
ALB P02768 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
PIN1 Q13526 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
RAF1 P04049 1/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
MERTK Q12866 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL10714746 0.87 MEN1 (0.54) VCAM1MEN1KMT2ATTRALB
SCHEMBL10717379 0.84 ALDH1A1 (0.55) MEN1KMT2ATTRALBTHRB
SCHEMBL31009400 0.81 APLNR (0.45) VCAM1MEN1KMT2ATTRTDP1
SCHEMBL31009481 0.81 MEN1 (0.53) VCAM1MEN1KMT2ATTRTDP1
SCHEMBL27781910 0.80 KDM4E (0.50) MEN1KMT2ATTRALBTHRB
SCHEMBL476349 0.80 ALDH1A1 (0.58) MEN1KMT2ATTRALBTHRB
SCHEMBL2271210 0.80 SMN1; SMN2 (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL1602832 0.80 MAPK1 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6158782 0.80 ALDH1A1 (0.56) MEN1KMT2ATTRALBTHRB
SCHEMBL28972085 0.79 PIN1 (0.55) VCAM1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-4438126-A Lower alkanoic acid derivatives of 2-oxo-benzoxazolines and aldose reductase inhibiting compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-20 US disclosed
EP-0022317-B1 2-OXO-BENZOTHIAZOLINE, BENZOXAZOLINE OR INDOLINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-21 EP disclosed
US-4370340-A ANTIDIABETIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
EP-0022317-A1 2-Oxo-benzothiazoline, benzoxazoline or indoline derivatives, their preparation, and pharmaceutical compositions comprising such derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-01-14 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 VCAM1 4819/4885MEN1 374/4885KMT2A 1103/4885
US-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 VCAM1 159/4885MEN1 3627/4885KMT2A 4023/4885

“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.