SCHEMBL12291365

SCHEMBL12291365

CCc1ccc(NCc2cc(=O)n3nc(-c4ccccc4)cc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.53
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CXCR4 P61073 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL12289748 0.81 MAPT (0.47) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12291367 0.77 LMNA (0.42) PARP1MAPTNPC1RAB9AGAA
SCHEMBL12326343 0.76 FABP4 (0.50) PARP1MAPTPOLBTP53
SCHEMBL12290398 0.75 PARP1 (0.53) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12291360 0.74 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL12326342 0.74 MAPT (0.41) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12289639 0.74 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL12291362 0.73 GAA (0.40) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL12289534 0.72 MAPT (0.41) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12289676 0.72 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9AGAA

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 4 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-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 3850/4885MAPT 2120/4885SMN1; SMN2 4632/4885

“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.