SCHEMBL3487598

SCHEMBL3487598

Nc1ccc(Oc2cccc(Cl)c2)cc1CNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CDK8 P49336 1/20 0.42
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KLKB1 P03952 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR1 O14842 1/20 0.40
FAAH O00519 2/20 0.40
PGR P06401 1/20 0.40
P2RX4 Q99571 1/20 0.39
OGG1 O15527 1/20 0.39
OPRL1 P41146 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
SCHEMBL3487214 0.86 ALDH1A1 (0.54) CDK8KLKB1FFAR1LMNA
SCHEMBL3487614 0.85 SMN1; SMN2 (0.52) PGR
SCHEMBL3488377 0.84 HIF1A (0.43) HIF1A
SCHEMBL3487417 0.84 HTR2A (0.46) HTR2ASLC6A4KCNH2CDK8NPC1
SCHEMBL3487570 0.82 MMP13 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19FFAR1
SCHEMBL3488807 0.82 SLC1A3 (0.45) KLKB1HIF1A
SCHEMBL3487535 0.81 MAPK14 (0.51) CDK8FAAHPGR
SCHEMBL3488473 0.81 MAPK14 (0.51)
SCHEMBL3488176 0.81 TEAD4 (0.46) CYP1A2CYP2C9CYP2C19
SCHEMBL3488032 0.81 SLC6A4 (0.45) HTR2ASLC6A4KCNH2HIF1A

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 EP 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HTR2A 1485/4885SLC6A4 1449/4885KCNH2 800/4885

“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.