SCHEMBL3001997

SCHEMBL3001997

CN(C)CCc1cccc(-c2cc3cc(Cl)cc(NC4CCOCC4)c3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 6/20 0.38
CSF1R P07333 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR7 P34969 5/20 0.38
TBK1 Q9UHD2 1/20 0.36
HTR1A P08908 2/20 0.36
VCP P55072 1/20 0.35
AURKA O14965 1/20 0.34
SLC2A1 P11166 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
MAOB P27338 1/20 0.33
HTR6 P50406 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14905707 0.91 TBK1 (0.43) CARM1CSF1RTBK1AURKASLC2A1
SCHEMBL3011126 0.86 CSF1R (0.44) CARM1CSF1RMAOBHTR6CCNA2
SCHEMBL2999167 0.83 CSF1R (0.49) CSF1RTBK1VCP
SCHEMBL3013772 0.83 PTGDR2 (0.40) CARM1CSF1RTBK1MAOBHTR6
SCHEMBL3011431 0.82 CARM1 (0.42) CARM1CSF1RVCPCCNA2CDK2
SCHEMBL3009007 0.81 CSF1R (0.51) CSF1RSLC2A1MAOBHTR6MAPK1
SCHEMBL3008069 0.81 VCP (0.41) CARM1CSF1RVCPCCNA2CDK2
SCHEMBL3009677 0.80 CARM1 (0.35) CARM1CSF1RMAOBHTR6CCNA2
SCHEMBL3005318 0.79 CHRM3 (0.42) CSF1RTBK1AURKAAURKBMAPK1
SCHEMBL3001957 0.79 VCP (0.43) CARM1CSF1RTBK1VCPCCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CARM1 4637/4885CSF1R 2910/4885TAAR1 2533/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CARM1 4637/4885CSF1R 2910/4885TAAR1 2533/4885

“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.