SCHEMBL3016299

SCHEMBL3016299

Cc1cc([N+](=O)[O-])c(O)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.44
GPR35 Q9HC97 4/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 5/20 0.42
CYP1A2 P05177 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 2/20 0.42
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41

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
SCHEMBL773066 0.85 VCAM1 (0.49) VCAM1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL7024321 0.84 VCAM1 (0.47) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL14739198 0.80 VCAM1 (0.47) VCAM1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL12619027 0.79 TSHR (0.47) VCAM1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL10479952 0.79 VCAM1 (0.44) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL24583121 0.79 GRIA1 (0.45) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL2403679 0.79 VCAM1 (0.51) VCAM1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL62337 0.79 GPR35 (0.54) GPR35ALDH1A1MAPTHPGDCYP1A2
SCHEMBL5291433 0.78 MAPT (0.54) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL31598698 0.78 MAPT (0.54) VCAM1GPR35ALDH1A1MAPTHPGD

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-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2010-08-19 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 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 (3 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-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 VCAM1 1483/4885GPR35 139/4885ALDH1A1 1041/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 VCAM1 1483/4885GPR35 139/4885ALDH1A1 1041/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 VCAM1 1483/4885GPR35 139/4885ALDH1A1 1041/4885

“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.