SCHEMBL6711650

SCHEMBL6711650

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.38
ROCK1 Q13464 3/20 0.37
NR1H4 Q96RI1 3/20 0.37
PPARG P37231 2/20 0.37
CNR1 P21554 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 2/20 0.34
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
F10 P00742 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
BTK Q06187 2/20 0.32

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
SCHEMBL6914316 0.93 CNR1 (0.34) SERPINE1ROCK1NR1H4PPARGCNR1
SCHEMBL6710144 0.91 ROCK1 (0.39) SERPINE1ROCK1RXFP1GRM4KDM4E
SCHEMBL6707725 0.90 HIF1A (0.38) ROCK1NR1H4RXFP1TP53KDM4E
SCHEMBL6710331 0.88 NR1H4 (0.38) ROCK1NR1H4TP53KDM4EALDH1A1
SCHEMBL6709776 0.88 ROCK1 (0.36) ROCK1RXFP1GRM4F10
SCHEMBL6709968 0.85 LMNA (0.39) ROCK1CNR1RXFP1TP53GRM4
SCHEMBL6708796 0.85 RXFP1 (0.39) ROCK1RXFP1GRM4KDM4EMAPT
SCHEMBL6711863 0.84 GRM4 (0.37) ROCK1RXFP1TP53GRM4MAPT
SCHEMBL6714161 0.84 GRIK1 (0.40) SERPINE1ROCK1NR1H4PPARGCNR1
SCHEMBL6712526 0.84 RXFP1 (0.39) ROCK1RXFP1TP53GRM4F10

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 SERPINE1 2108/4885ROCK1 4830/4885NR1H4 1116/4885

“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.