SCHEMBL6710017

SCHEMBL6710017

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
ROCK1 Q13464 4/20 0.41
GRM4 Q14833 1/20 0.40
BRPF1 P55201 1/20 0.36
ROCK2 O75116 1/20 0.35
F10 P00742 3/20 0.35
ATM Q13315 1/20 0.35
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 1/20 0.34
PHGDH O43175 3/20 0.33
KDM1A O60341 1/20 0.33
THRB P10828 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
SCHEMBL6713418 0.91 RXFP1 (0.36) RXFP1ROCK1GRM4BRPF1ROCK2
SCHEMBL6707646 0.89 RXFP1 (0.45) RXFP1ROCK1GRM4ROCK2ALDH1A1
SCHEMBL6710360 0.88 TDP2 (0.41) ROCK1GRM4BRPF1ROCK2ATM
SCHEMBL6708876 0.86 MEN1 (0.45) GRM4ATMALDH1A1
SCHEMBL6710014 0.85 MAPT (0.40) RXFP1ALDH1A1
SCHEMBL6714240 0.85 RXFP1 (0.42) RXFP1ROCK1GRM4ALDH1A1GSK3B
SCHEMBL6713205 0.85 GRM4 (0.52) RXFP1ROCK1GRM4PHGDH
SCHEMBL6707804 0.84 MAPT (0.43) RXFP1ROCK1GRM4F10ALDH1A1
SCHEMBL6708004 0.84 RXFP1 (0.41) RXFP1ROCK1GRM4ROCK2ALDH1A1
SCHEMBL6709891 0.83 RXFP1 (0.46) RXFP1ROCK1GRM4BRPF1F10

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 RXFP1 3836/4885ROCK1 4830/4885GRM4 4668/4885

“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.