SCHEMBL6711396

SCHEMBL6711396

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GRM4 Q14833 1/20 0.36
ROCK1 Q13464 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
STK33 Q9BYT3 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL6709863 0.90 HIF1A (0.38) HSD11B1RXFP1
SCHEMBL6711863 0.89 GRM4 (0.37) HSD11B1GRM4ROCK1RXFP1RAB9A
SCHEMBL6709968 0.88 LMNA (0.39) KDM4EGRM4ROCK1RXFP1STK33
SCHEMBL6707965 0.88 NTRK1 (0.35) HSD11B1RXFP1
SCHEMBL6710144 0.88 ROCK1 (0.39) KDM4EGRM4ROCK1RXFP1
SCHEMBL6711785 0.86 HPGD (0.40) KDM4EGRM4ROCK1MAPTSMN1; SMN2
SCHEMBL6710337 0.86 ROCK1 (0.41) HSD11B1GRM5KDM4EGRM4ROCK1
SCHEMBL6708796 0.85 RXFP1 (0.39) KDM4EGRM4ROCK1RXFP1STK33
SCHEMBL6709222 0.84 GRIK1 (0.40) HSD11B1GRM5KDM4EGRM4ROCK1
SCHEMBL6712526 0.84 RXFP1 (0.39) GRM4ROCK1RXFP1STK33RAB9A

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 HSD11B1 3068/4885GRM5 4139/4885KDM4E 1582/4885

“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.