SCHEMBL6710086

SCHEMBL6710086

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(OCc3ccccc3)c21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
PPIA P62937 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PTGER1 P34995 1/20 0.35
TDP2 O95551 2/20 0.34
MAPT P10636 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KDM1A O60341 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
SCHEMBL6708983 0.92 SGMS2 (0.41) METPPIASGMS2MAPTLMNA
SCHEMBL6710259 0.91 BRD4 (0.36) METRXFP1MAPTLMNAKDM1A
SCHEMBL6708800 0.90 KDM1A (0.34) RXFP1MAPTLMNAKDM1A
SCHEMBL6707891 0.89 HSD17B10 (0.33) RXFP1MAPTLMNAKDM1A
SCHEMBL6710160 0.89 TP53 (0.36) RXFP1MAPTLMNA
SCHEMBL6713393 0.89 GRIK1 (0.39) PPIAPTGER1MAPT
SCHEMBL6708956 0.89 LRRK2 (0.38) MAPTLMNA
SCHEMBL6710036 0.88 KDM1A (0.39) KDM1A
SCHEMBL6710416 0.88 BRD4 (0.32) RXFP1MAPTLMNAKDM1A
SCHEMBL6707657 0.87 ALK (0.40) RXFP1MAPTLMNA

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 MET 3619/4885PPIA 3856/4885RXFP1 3836/4885

“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.