SCHEMBL7069649

SCHEMBL7069649

CCCCCNC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.43
TBXA2R P21731 4/20 0.42
PLK1 P53350 2/20 0.41
ROCK2 O75116 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CCR3 P51677 2/20 0.37

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
SCHEMBL6814610 0.86 ROCK2 (0.41) ROCK2ALDH1A1HTT
SCHEMBL6817988 0.85 NAMPT (0.43) ROCK2RAB9AALDH1A1HTT
SCHEMBL6818253 0.84 ROCK2 (0.42) ROCK2HTT
SCHEMBL6708650 0.82 ROCK2 (0.40) EPHX1TBXA2RROCK2CYP1A2CYP2C19
SCHEMBL6814917 0.82 AKR1C2 (0.48) PLK1
SCHEMBL6710344 0.82 EPHX1 (0.38) EPHX1TBXA2RROCK2CYP1A2CYP2C19
SCHEMBL6833234 0.81 KDM4C (0.43) ROCK2RAB9AALDH1A1
SCHEMBL6835744 0.80 ALB (0.43) ROCK2ALDH1A1
SCHEMBL6835753 0.80 ROCK2 (0.40) ROCK2RAB9AALDH1A1
SCHEMBL6833880 0.78 ALB (0.46) ROCK2ALDH1A1

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 EPHX1 1803/4885TBXA2R 343/4885PLK1 4270/4885

“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.