SCHEMBL1971208

SCHEMBL1971208

N#Cc1ccc(N=C=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 2/20 0.44
AR P10275 7/20 0.41
SLC22A12 Q96S37 2/20 0.39
CYP3A4 P08684 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
STAT3 P40763 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
SCHEMBL300907 0.89 CYP3A4 (0.47) IMPDH2IMPDH1ARSLC22A12CYP3A4
SCHEMBL29405309 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1MAPT
SCHEMBL27066 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1MAPT
SCHEMBL3205617 0.81 ALDH1A1 (0.52) IMPDH2IMPDH1ARSLC22A12CYP3A4
SCHEMBL9035492 0.80 IMPDH2 (0.53) IMPDH2IMPDH1ARSLC22A12CA1
SCHEMBL11382980 0.78 CYP3A4 (0.45) CYP3A4ALDH1A1GAAMAPT
SCHEMBL28189098 0.78 CYP3A4 (0.45) CYP3A4ALDH1A1MAPT
SCHEMBL29489135 0.77 IMPDH2 (0.64) IMPDH2IMPDH1ARSLC22A12CA1
SCHEMBL151936 0.77 IMPDH2 (0.64) IMPDH2IMPDH1ARSLC22A12CA1
SCHEMBL5788213 0.76 IMPDH2 (0.43) IMPDH2IMPDH1ARSLC22A12CA1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
EP-2026799-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH Galapagos SAS (FR) 2009-02-25 EP disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1567487-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-08-31 EP disclosed
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005049580-A1 MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-03-17 US disclosed
WO-2004045518-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-03 WO disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 US disclosed
EP-1414795-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-05-06 EP disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 WO 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 (7 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 IMPDH2 1786/4885IMPDH1 979/4885AR 2/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA IMPDH2 2929/4885IMPDH1 2214/4885AR 1/4885
US-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function AR, SHBG, ESRRA IMPDH2 3103/4885IMPDH1 2732/4885AR 1/4885
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION SHBG, ESRRA, AR IMPDH2 3101/4885IMPDH1 2747/4885AR 3/4885
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function AR, NR5A1, CYP19A1 IMPDH2 1397/4885IMPDH1 1164/4885AR 1/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA IMPDH2 2929/4885IMPDH1 2214/4885AR 1/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 IMPDH2 1755/4885IMPDH1 953/4885AR 2/4885

“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.