SCHEMBL6710036

SCHEMBL6710036

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(OCC3CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
RCOR1 Q9UKL0 2/20 0.36
GPR6 P46095 7/20 0.35
MAP2K1 Q02750 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
BRD4 O60885 1/20 0.34
XDH P47989 1/20 0.34
IDH1 O75874 1/20 0.34
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
KLKB1 P03952 1/20 0.33
MAOA P21397 1/20 0.33
PDE4B Q07343 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
SCHEMBL6707700 0.97 KDM1A (0.38) KDM1ARCOR1GPR6MAP2K1LCK
SCHEMBL6708788 0.96 XDH (0.39) KDM1ARCOR1GPR6LCKFYN
SCHEMBL6708005 0.90 EGLN1 (0.38) KDM1AGPR6LCKFYN
SCHEMBL6713869 0.90 GRIK1 (0.38) KDM1ARCOR1PPARG
SCHEMBL6708800 0.90 KDM1A (0.34) KDM1ALCKFYNBRD4MAOA
SCHEMBL6711788 0.90 KDM1A (0.36) KDM1ARCOR1XDHCNR2PPARG
SCHEMBL6710160 0.89 TP53 (0.36) BRD4CNR2PPARG
SCHEMBL6708736 0.88 GPR6 (0.39) GPR6
SCHEMBL6710086 0.88 MET (0.38) KDM1A
SCHEMBL6710259 0.88 BRD4 (0.36) KDM1ABRD4

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 620/4885RCOR1 3366/4885GPR6 2607/4885

“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.