SCHEMBL6711896

SCHEMBL6711896

CCCCCNC(=O)Nc1ccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.43
EPHX2 P34913 7/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GRM4 Q14833 1/20 0.38
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6711912 0.92 EPHX1 (0.40) EPHX1EPHX2RXFP1GRM4CYP1A2
SCHEMBL6708650 0.90 ROCK2 (0.40) EPHX1EPHX2RXFP1GRM4CYP1A2
SCHEMBL6714240 0.86 RXFP1 (0.42) RXFP1GRM4HDAC3HDAC1
SCHEMBL6712110 0.85 EPHX1 (0.42) EPHX1EPHX2RXFP1GRM4ALOX15
SCHEMBL6707646 0.85 RXFP1 (0.45) RXFP1GRM4HDAC1RAB9A
SCHEMBL6709851 0.84 RXFP1 (0.39) RXFP1GRM4
SCHEMBL6708004 0.83 RXFP1 (0.41) RXFP1GRM4
SCHEMBL6710017 0.81 RXFP1 (0.45) RXFP1GRM4
SCHEMBL6708533 0.81 USP2 (0.41) RXFP1GRM4
SCHEMBL6713205 0.80 GRM4 (0.52) RXFP1GRM4RAB9A

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 EPHX1 1869/4885EPHX2 2941/4885RXFP1 3836/4885

“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.