SCHEMBL1414845

SCHEMBL1414845

CC(C)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NMBR P28336 1/20 0.37
ENPP2 Q13822 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL17275466 0.89 SIRT2 (0.39) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL17275465 0.89 SIRT2 (0.39) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL17275443 0.85 SIRT2 (0.40) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL8524073 0.84 SIRT2 (0.36) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL1040045 0.83 CYP11B1 (0.41) SIRT2CYP11B1CYP11B2ENPP2ALDH1A1
SCHEMBL28616157 0.83 SIRT2 (0.38) SIRT2CYP11B1CYP11B2NMBRCYP1A2
SCHEMBL28616160 0.83 SIRT2 (0.38) SIRT2CYP11B1CYP11B2NMBRCYP1A2
SCHEMBL670904 0.83 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2ALDH1A1
SCHEMBL5682164 0.83 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2CYP1A2
SCHEMBL4030251 0.82 SIRT2 (0.40) SIRT2CYP11B1CYP11B2NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1344777-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2011-03-16 EP disclosed
US-7629472-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-08 US disclosed
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-20070276143-A1 Method for producing optically active compound YAMANO TORU 2007-11-29 US disclosed
EP-1489070-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-29 EP disclosed
US-7247732-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-20060229457-A1 Method for producing optically active compound YAMANO TORU 2006-10-12 US disclosed
US-7084278-B2 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP disclosed
US-6960586-B2 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-01 US disclosed
US-20050107433-A1 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1489070-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-22 EP disclosed
US-20040024039-A1 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1344777-A1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2003-09-17 EP disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 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 (4 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-20070276143-A1 Method for producing optically active compound CYP8B1, HRH3, HRH1 SIRT2 1128/4885CYP11B1 24/4885CYP11B2 43/4885
US-20040024039-A1 Imidazole derivatives, process for their preparation and their use CYP17A1, HSD17B7, CYP51A1 SIRT2 2362/4885CYP11B1 9/4885CYP11B2 19/4885
US-20060229457-A1 Method for producing optically active compound CYP8B1, HSD11B1, HSD17B7 SIRT2 1117/4885CYP11B1 16/4885CYP11B2 34/4885
US-20050107433-A1 Process for production of optically active compounds CYP8B1, HSD11B1, CYP51A1 SIRT2 1689/4885CYP11B1 9/4885CYP11B2 31/4885

“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.