SCHEMBL1985609

SCHEMBL1985609

COc1ccc(-n2nc(C(=O)O)c(C)c2-c2cc(Br)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ADORA1 P30542 2/20 0.48
TP53 P04637 1/20 0.47
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
CCNA1 P78396 4/20 0.47
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RPA1 P27694 2/20 0.41
KDM4E B2RXH2 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP6 P55212 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1982830 0.90 MAPT (0.49) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1984826 0.88 MAPT (0.47) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1983441 0.86 CYP1A2 (0.45) MAPTPTGS2ALDH1A1RPA1KDM4E
SCHEMBL1983923 0.86 MAPT (0.46) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1985610 0.85 MAPT (0.39) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1985457 0.83 TP53 (0.48) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1986009 0.81 TP53 (0.51) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1987267 0.79 TP53 (0.46) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1983810 0.79 TP53 (0.48) MAPTADORA1TP53CCNA2CDK2
SCHEMBL1983835 0.78 MAPT (0.46) MAPTADORA1TP53CCNA2CDK2

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
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP claimed
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 EP claimed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 US claimed
US-8227620-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2012-07-24 US disclosed
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP disclosed
US-20100105896-A1 PHARMACEUTICAL COMPOUNDS Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-04-29 US disclosed
US-7659407-B2 pyrazole derivatives having affinity for cannabinoidergic CB1 and/or CB2 receptors; immune disorders, osteoporosis, renal ischemia, inflammation,transplant rejection; 5-(5-Chloro-thiofen-2-yl)-1-(4-methoxy-phenyl)-4-methyl-1H-pyrazol-3-carboxylic acid Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-02-09 US disclosed
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 EP disclosed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 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 (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-20100105896-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, OPRD1 MAPT 3112/4885ADORA1 393/4885TP53 4663/4885
US-20050261281-A1 Pharmaceutical compounds CNR1, CNR2, OPRD1 MAPT 3284/4885ADORA1 550/4885TP53 4717/4885

“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.