SCHEMBL6835702

SCHEMBL6835702

COc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 2/20 0.43
TSHR P16473 1/20 0.42
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNK2 O95069 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALB P02768 3/20 0.41
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL6814917 0.88 AKR1C2 (0.48) MAPTLMNATP53ALBPLK1
SCHEMBL6830517 0.87 MAPT (0.51) MAPTALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL6835632 0.87 TRPA1 (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6834194 0.87 SRD5A2 (0.52) ALB
SCHEMBL6833876 0.86 KDM1A (0.49) ALB
SCHEMBL6835752 0.85 KDM1A (0.48) ALB
SCHEMBL6818878 0.84 ALB (0.56) MAPTLMNATP53ALB
SCHEMBL6818253 0.84 ROCK2 (0.42) MAPTKDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL6833234 0.83 KDM4C (0.43) MAPTALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6814610 0.82 ROCK2 (0.41) MAPTALDH1A1LMNATP53ALB

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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
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 4759/4885ALDH1A1 170/4885KDM4E 1240/4885

“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.