SCHEMBL6710083

SCHEMBL6710083

CC(C)n1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
KDM1A O60341 1/20 0.37
ROCK1 Q13464 4/20 0.37
F10 P00742 7/20 0.36
F2 P00734 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAP3K5 Q99683 1/20 0.35
STK33 Q9BYT3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
HTR4 Q13639 1/20 0.34

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
SCHEMBL6707713 0.89 HIF1A (0.41) GRM4KDM1AROCK1F10RXFP1
SCHEMBL6713205 0.88 GRM4 (0.52) GRM4ROCK1RXFP1MAP3K5MEN1
SCHEMBL6708813 0.86 TRPA1 (0.39) GRM4KDM1AROCK1MAP3K5KMT2A
SCHEMBL6708039 0.86 F10 (0.40) GRM4ROCK1F10F2MEN1
SCHEMBL6711933 0.85 PTGDR2 (0.43) GRM4KDM1AROCK1F10F2
SCHEMBL6710348 0.84 ALDH1A1 (0.41) GRM4KDM1AROCK1F10F2
SCHEMBL6710324 0.83 ROCK1 (0.50) ROCK1F10MEN1KMT2A
SCHEMBL6714173 0.82 GRM4 (0.47) GRM4ROCK1RXFP1MAP3K5MEN1
SCHEMBL6710275 0.82 HDAC3 (0.43) GRM4ROCK1F10F2STK33
SCHEMBL6707974 0.82 CNR2 (0.42) GRM4ROCK1F10MEN1KMT2A

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 GRM4 4668/4885KDM1A 620/4885ROCK1 4830/4885

“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.