SCHEMBL6835787

SCHEMBL6835787

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(NC(=O)NCc3ccccc3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
KDM4E B2RXH2 6/20 0.43
GSK3B P49841 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ROCK2 O75116 4/20 0.38
ELANE P08246 1/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL6833757 0.86 ALB (0.35) KMT2ALMNAHTTALB
SCHEMBL6833427 0.86 ALB (0.50) MEN1KMT2ALMNARAB9AALB
SCHEMBL6833763 0.84 ALB (0.39) MEN1KMT2ALMNAHTTALB
SCHEMBL6709838 0.83 KDM4E (0.38) KDM4EGSK3BTRPV1ALDH1A1GAA
SCHEMBL6814183 0.82 MRGPRX4 (0.43) MEN1KMT2AL3MBTL1LMNAALB
SCHEMBL6713770 0.82 GSK3B (0.36) KDM4EGSK3BTRPV1ALDH1A1GAA
SCHEMBL6833985 0.81 ALB (0.42) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL6834048 0.81 ALB (0.42) KMT2ALMNAHTTALB
SCHEMBL6830873 0.81 LMNA (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6834424 0.81 ALB (0.43) MEN1KMT2ALMNATSHRHTT

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 claimed

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 CFD 1175/4885KDM4E 1240/4885GSK3B 4268/4885

“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.