SCHEMBL6830333

SCHEMBL6830333

Cc1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.48
ALB P02768 1/20 0.47
GPR6 P46095 1/20 0.47
GAA P10253 3/20 0.46
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL6818393 0.85 ALDH1A1 (0.48) MAPTALDH1A1TSHRNPC1RAB9A
SCHEMBL6835713 0.83 ALB (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6822132 0.83 ALB (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6835649 0.83 ALB (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6834026 0.82 KMT2A (0.46) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL6818610 0.82 FTO (0.43) ALDH1A1KDM4EHSD17B10NPC1ALB
SCHEMBL6813729 0.82 TDP1 (0.55) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL6818204 0.82 KDM4E (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6818740 0.80 RXFP1 (0.71) MAPTTP53ALDH1A1HPGDHSD17B10
SCHEMBL6830260 0.79 HPGD (0.52) MAPTTP53ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 MAPT 4759/4885TP53 2331/4885ALDH1A1 170/4885

“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.