SCHEMBL4256428

SCHEMBL4256428

Nc1c(C(=O)O)cccc1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.52
G6PD P11413 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ACMSD Q8TDX5 1/20 0.49
MYC P01106 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
DHODH Q02127 2/20 0.45
HNF4A P41235 1/20 0.44

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
SCHEMBL17744802 0.87 G6PD (0.61) G6PDCASP7CASP6MYCALDH1A1
SCHEMBL9851131 0.87 G6PD (0.65) ALBG6PDCASP7CASP6MYC
SCHEMBL161951 0.83 ALB (0.61) ALBG6PDCASP7CASP6MYC
SCHEMBL269331 0.83 NPC1 (0.60) ALBNPC1RAB9AACMSDMYC
SCHEMBL6316176 0.81 G6PD (0.55) G6PDCASP7CASP6NPC1RAB9A
SCHEMBL30462498 0.80 MYC (0.58) ALBG6PDCASP7CASP6MYC
SCHEMBL3695125 0.80 MAPT (0.49) ALBNPC1RAB9AACMSDMYC
SCHEMBL6055008 0.80 ALB (0.69) ALBNPC1RAB9AACMSDMYC
SCHEMBL15060465 0.80 G6PD (0.69) G6PDCASP7CASP6MYCALDH1A1
SCHEMBL29386467 0.80 G6PD (0.69) G6PDCASP7CASP6MYCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME CLIC1, ASIC1, CLIC4 ALB 3665/4885G6PD 2031/4885CASP7 1432/4885

“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.