SCHEMBL4946572

SCHEMBL4946572

COC(=O)c1ccc(-c2ccccc2F)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HSD17B10 Q99714 4/20 0.67
NPC1 O15118 3/20 0.67
HPGD P15428 2/20 0.67
KMT2A Q03164 1/20 0.67
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 1/20 0.61
ATM Q13315 1/20 0.61
MAPK1 P28482 1/20 0.59
SLC9A1 P19634 1/20 0.58
PDE4B Q07343 4/20 0.53
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
OPRM1 P35372 1/20 0.50

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
SCHEMBL4946335 0.88 SLC9A1 (0.60) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL4949369 0.82 PDE4B (0.52) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL4946365 0.82 ALDH1A1 (0.61) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL5842477 0.81 ALDH1A1 (0.65) RAB9ASMN1; SMN2HSD17B10HPGDKMT2A
SCHEMBL4943691 0.81 S1PR2 (0.61) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL4945613 0.81 SLC9A1 (0.60) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL4937754 0.81 ALDH1A1 (0.74) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL4942886 0.81 ALDH1A1 (0.69) RAB9ASMN1; SMN2NPC1HPGDKMT2A
SCHEMBL4937140 0.81 SLC9A1 (0.60) RAB9ASMN1; SMN2HSD17B10NPC1HPGD
SCHEMBL21981938 0.80 HTT (0.67) RAB9ANPC1HPGDKMT2AKDM4E

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
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed
WO-2004060884-A1 [4-(3-AMINOMETHYLPHENYL) PIPERIDIN-1-YL]- [5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 WO 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 RAB9A 699/4885SMN1; SMN2 1875/4885HSD17B10 1301/4885

“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.