SCHEMBL6987231

SCHEMBL6987231

O=C(c1nc2ccccc2nc1O)N1CCC(c2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.51
SPR P35270 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD11B1 P28845 4/20 0.50
CNR1 P21554 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
FASN P49327 1/20 0.46
MGLL Q99685 1/20 0.46
ATM Q13315 1/20 0.45
APLNR P35414 1/20 0.45

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
SCHEMBL6989447 0.87 HSD11B1 (0.53) SPRNPC1RAB9ALMNATP53
SCHEMBL6990102 0.84 PROKR1 (0.50) PROKR1SPRNPC1RAB9ALMNA
SCHEMBL6989435 0.78 PROKR1 (0.52) PROKR1NPC1RAB9ALMNATP53
SCHEMBL6989480 0.78 CYP2C9 (0.52) SPRMGLL
SCHEMBL3696411 0.74 PTK2 (0.58) MAPTSMN1; SMN2CNR1
SCHEMBL6987252 0.73 HSD11B1 (0.50) SPRNPC1RAB9ALMNATP53
SCHEMBL4958586 0.73 NPC1 (0.62) PROKR1SPRNPC1RAB9ALMNA
SCHEMBL22608555 0.73 CCNC (0.52) PROKR1SPRNPC1RAB9ALMNA
SCHEMBL12497298 0.72 NPC1 (0.57) PROKR1NPC1RAB9ALMNATP53
SCHEMBL6989102 0.71 HSD11B1 (0.50) SPRHSD11B1MGLL

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
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 PROKR1 2426/4885SPR 666/4885NPC1 321/4885

“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.