SCHEMBL12290398

SCHEMBL12290398

O=c1cc(CCl)[nH]c2cc(-c3ccccc3)nn12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.53
KDM4E B2RXH2 2/20 0.44
TP53 P04637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL31468348 0.79 PARP1 (0.58) PARP1KDM4ETP53NPC1RAB9A
SCHEMBL15191719 0.78 PARP1 (0.57) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13534960 0.75 PARP1 (0.51) PARP1KDM4ENPC1RAB9AMEN1
SCHEMBL2336718 0.75 KDM4E (0.51) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL12326343 0.75 FABP4 (0.50) PARP1TP53MAPT
SCHEMBL12291365 0.75 PARP1 (0.53) PARP1KDM4ETP53NPC1RAB9A
SCHEMBL1278559 0.74 KDM4E (0.41) PARP1KDM4EMEN1MAPTKMT2A
SCHEMBL12291367 0.74 LMNA (0.42) PARP1TP53NPC1RAB9AMEN1
SCHEMBL1614054 0.73 MEN1 (0.41) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL20515291 0.72 KDM4E (0.43) KDM4ESMN1; SMN2MEN1KMT2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 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 (1 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 PARP1 3850/4885KDM4E 3104/4885TP53 3851/4885

“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.