SCHEMBL6709131

SCHEMBL6709131

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(OCc3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.39
MET P08581 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
PTGER1 P34995 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 3/20 0.35
KCNH2 Q12809 3/20 0.35
CYP19A1 P11511 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TDP2 O95551 1/20 0.34
KDM1A O60341 1/20 0.34
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 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
SCHEMBL6710120 0.92 SGMS2 (0.42) PPIAMETSGMS2LMNALRRK2
SCHEMBL6710432 0.91 LMNA (0.35) METRXFP1LMNAMAPTKDM1A
SCHEMBL6708936 0.89 KDM1A (0.34) RXFP1LMNAMAPTKDM1A
SCHEMBL6711695 0.89 HIF1A (0.39) RXFP1PTGER1LMNAMAPTLRRK2
SCHEMBL6707711 0.89 MAPT (0.39) PPIAPTGER1LMNAMAPTLRRK2
SCHEMBL6713474 0.88 RXFP1 (0.33) RXFP1LMNAMAPTKDM1A
SCHEMBL6710365 0.88 KDM1A (0.39) RXFP1LMNAMAPTKDM1A
SCHEMBL6709981 0.88 LMNA (0.35) RXFP1LMNAMAPT
SCHEMBL6707789 0.87 LMNA (0.33) RXFP1LMNAMAPTKDM1A
SCHEMBL6710191 0.87 ALK (0.38) RXFP1LMNAMAPTKDM1A

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 PPIA 3856/4885MET 3619/4885RXFP1 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.