SCHEMBL1986994

SCHEMBL1986994

CCc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
PTGS2 P35354 3/20 0.40
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
CASP1 P29466 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
RPA1 P27694 1/20 0.37

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
SCHEMBL1984226 0.91 CYP1A2 (0.44) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1987131 0.89 MAPT (0.42) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1983923 0.87 MAPT (0.46) PTGS2MAPTAPPSMN1; SMN2KDM4E
SCHEMBL1983456 0.86 CNR1 (0.54) CNR1CNR2
SCHEMBL1983441 0.85 CYP1A2 (0.45) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1986995 0.84 KMT2A (0.35) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1983089 0.83 CNR1 (0.53) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1984670 0.82 MAPT (0.45) CYP1A2MAPTAPPKDM4EALDH1A1
SCHEMBL1985783 0.82 CYP1A2 (0.46) CYP1A2HIF1APTGS2MAPTAPP
SCHEMBL1983548 0.81 CNR1 (0.52) CYP1A2HIF1APTGS2MAPTAPP

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 CYP1A2 129/4885HIF1A 2240/4885PTGS2 1724/4885
US-20050261281-A1 Pharmaceutical compounds CNR1, CNR2, OPRD1 CYP1A2 207/4885HIF1A 1502/4885PTGS2 2504/4885

“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.