SCHEMBL3545014

SCHEMBL3545014

Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)C

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.79
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
HSD17B10 Q99714 1/20 0.71
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69

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
SCHEMBL3554810 0.86 GPBAR1 (0.72) GPBAR1ALDH1A1LMNA
SCHEMBL27910275 0.85 HSD17B10 (0.78) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL18065752 0.85 GPBAR1 (1.00) GPBAR1CYP3A4CYP2C19
SCHEMBL29791377 0.85 GPBAR1 (1.00) GPBAR1CYP3A4CYP2C19
SCHEMBL14765558 0.84 MAPT (0.77) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL30395456 0.84 HSD17B10 (0.76) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL10520547 0.84 HSD17B10 (0.76) GPBAR1CYP3A4CYP2C19HSD17B10LMNA
SCHEMBL315858 0.84 HSD17B10 (0.76) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL32679558 0.84 HSD17B10 (0.76) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL459354 0.84 HSD17B10 (0.76) GPBAR1CYP3A4CYP2C19HSD17B10ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 GPBAR1 365/4885CYP3A4 61/4885CYP2C19 50/4885

“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.