SCHEMBL805487

SCHEMBL805487

CCN1Cc2cccc(Cl)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.47
PARP2 Q9UGN5 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.46
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PREP P48147 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL805484 0.84 ADRA2A (0.42) HTTP2RX7ALDH1A1NPSR1HTR2A
SCHEMBL805483 0.81 PARP1 (0.51) PARP1PARP2HTTLMNAALOX15
SCHEMBL2024995 0.81 PARP1 (0.64) PARP1PARP2PREP
SCHEMBL2022621 0.80 PARP1 (0.50) PARP1PARP2ALDH1A1NPSR1PREP
SCHEMBL17212040 0.80 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15
SCHEMBL11956536 0.80 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15
SCHEMBL12714306 0.80 PARP1 (0.50) PARP1PARP2HTTLMNAALOX15
SCHEMBL2023284 0.80 PARP1 (0.52) PARP1P2RX7PREP
SCHEMBL799368 0.78 HSP90AB1 (0.50) PARP1PARP2HTTLMNAALOX15
SCHEMBL29957680 0.78 PARP1 (0.48) PARP1PARP2HTTLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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 (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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB PARP1 1694/4885PARP2 3362/4885HTT 1159/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PARP1 2256/4885PARP2 2428/4885HTT 3069/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PARP1 1532/4885PARP2 1945/4885HTT 2709/4885

“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.