SCHEMBL6832722

SCHEMBL6832722

COC(=O)c1cc(C=NCC2CCNCC2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
SIRT5 Q9NXA8 1/20 0.36
MCHR1 Q99705 2/20 0.36
CHRM3 P20309 2/20 0.35
BRD4 O60885 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
P4HB P07237 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KAT6A Q92794 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CACNA1F O60840 1/20 0.34

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
SCHEMBL6832720 1.00 PLAU (0.38) PLAUSIRT5MCHR1CHRM3BRD4
SCHEMBL6829137 0.89 P2RY14 (0.39) MCHR1CHRM3CYP1A2CYP2C19HSD17B10
SCHEMBL6829134 0.89 P2RY14 (0.39) MCHR1CHRM3CYP1A2CYP2C19HSD17B10
SCHEMBL6831982 0.84 NOTCH1 (0.41)
SCHEMBL6831983 0.84 NOTCH1 (0.41)
SCHEMBL6319178 0.79 CHRM3 (0.42) PLAUMCHR1CHRM3MRGPRX4
SCHEMBL6751721 0.79 PLAU (0.41) PLAUMCHR1CHRM3KAT6AMRGPRX4
SCHEMBL6288448 0.77 PLAU (0.47) PLAUSIRT5P4HBEGLN1KAT6A
SCHEMBL6834695 0.75 GPR119 (0.42)
SCHEMBL6834696 0.75 GPR119 (0.42)

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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 PLAU 3848/4885SIRT5 410/4885MCHR1 3832/4885

“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.