SCHEMBL13705384

SCHEMBL13705384

COC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCCc2ccc(OC)cc2C)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
USP19 O94966 3/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 2/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM3 P20309 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
SCHEMBL13810259 0.88 ACP1 (0.34) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL13705410 0.88 CA1 (0.33) USP19HCRTR1HCRTR2MEN1KMT2A
SCHEMBL13705452 0.88 HCRTR1 (0.38) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL13705403 0.87 CHRM3 (0.34) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL13705466 0.87 HCRTR1 (0.41) USP19HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4281603 0.85 ACP1 (0.35) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL13705473 0.85 HCRTR1 (0.40) USP19HCRTR1HCRTR2CHRM3
SCHEMBL4292457 0.85 HCRTR1 (0.39) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL13705478 0.84 HCRTR1 (0.44) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL13705419 0.84 HCRTR1 (0.40) HCRTR1HCRTR2

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885HPGD 106/4885APOBEC3A 4376/4885

“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.