SCHEMBL6707700

SCHEMBL6707700

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(OCC3CCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.38
XDH P47989 1/20 0.36
RCOR1 Q9UKL0 2/20 0.35
GPR6 P46095 5/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CHRM3 P20309 1/20 0.33
MDM2 Q00987 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PPARG P37231 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAOA P21397 1/20 0.32
IKBKB O14920 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL6708788 0.98 XDH (0.39) KDM1AXDHRCOR1GPR6LCK
SCHEMBL6710036 0.97 KDM1A (0.39) KDM1AXDHRCOR1GPR6LCK
SCHEMBL6708005 0.90 EGLN1 (0.38) KDM1AGPR6LCKFYNEGLN1
SCHEMBL6708736 0.90 GPR6 (0.39) GPR6
SCHEMBL6709839 0.90 XDH (0.37) KDM1AXDHRCOR1MDM2PPARG
SCHEMBL6710047 0.90 GRIK1 (0.37) KDM1AXDHRCOR1CHRM3MDM2
SCHEMBL6708800 0.88 KDM1A (0.34) KDM1ALCKFYNMAOA
SCHEMBL6708955 0.88 XDH (0.39) KDM1AXDHRCOR1PPARG
SCHEMBL6708861 0.88 XDH (0.39) KDM1AXDHCHRM3MDM2PPARG
SCHEMBL6710160 0.88 TP53 (0.36) PPARG

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 KDM1A 620/4885XDH 142/4885RCOR1 3366/4885

“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.