SCHEMBL7542875

SCHEMBL7542875

NC(=O)Nc1ccc(C(=O)O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.59
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
PTGS2 P35354 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CXCR2 P25025 1/20 0.53
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 2/20 0.47

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
SCHEMBL14740985 0.82 HCAR3 (0.61) KDM5AMAPTGAACXCR2MEN1
SCHEMBL28931514 0.81 MEN1 (0.60) KDM5AKDM4EMAPTGAAPOLB
SCHEMBL29692929 0.81 KDM5A (0.59) KDM5AKDM4EMAPTGAAPOLB
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL31026207 0.81 MAPT (0.65) KDM5AKDM4EMAPTGAAPOLB
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL8018270 0.81 MAPT (0.65) KDM5AKDM4EMAPTGAAPOLB
SCHEMBL7540135 0.81 LTC4S (0.51) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL5595020 0.80 CXCR2 (0.68) KDM5AMAPTPOLBCA12CA1
SCHEMBL22753419 0.79 KDM5A (0.56) KDM5AKDM4EMAPTGAAPOLB
SCHEMBL13064964 0.79 TOP1 (0.64) KDM5AKDM4EMAPTGAAPOLB
SCHEMBL20227392 0.79 NPC1 (0.66) KDM4EMAPTGAAPOLBCXCR2

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-2016179558-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-10 WO disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 KDM5A 2720/4885KDM4E 3406/4885MAPT 3240/4885

“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.