SCHEMBL6833692

SCHEMBL6833692

CN(C(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.49
ROCK2 O75116 1/20 0.40
ALB P02768 2/20 0.40
GRM4 Q14833 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
TRPA1 O75762 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 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
SCHEMBL6818253 0.85 ROCK2 (0.42) ROCK2ALBGRM4SMN1; SMN2F2
SCHEMBL6814610 0.84 ROCK2 (0.41) IMPDH2ROCK2ALBGRM4F2
SCHEMBL6709939 0.83 IMPDH2 (0.43) IMPDH2ROCK2GRM4NPC1RAB9A
SCHEMBL6818878 0.82 ALB (0.56) ALBGRM4NPC1RAB9ATRPA1
SCHEMBL6710231 0.82 IMPDH2 (0.42) IMPDH2ROCK2GRM4NPC1RAB9A
SCHEMBL6817988 0.81 NAMPT (0.43) ROCK2ALBGRM4NPC1RAB9A
SCHEMBL6835744 0.81 ALB (0.43) ROCK2ALBGRM4TRPA1
SCHEMBL6822318 0.81 MAPT (0.48) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL6833234 0.81 KDM4C (0.43) ROCK2ALBGRM4NPC1RAB9A
SCHEMBL6835753 0.79 ROCK2 (0.40) ROCK2ALBGRM4NPC1RAB9A

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 IMPDH2 2762/4885ROCK2 4866/4885ALB 1417/4885

“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.