SCHEMBL2952259

SCHEMBL2952259

Cc1c(Cl)cccc1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
CD38 P28907 1/20 0.43
PKM P14618 1/20 0.43
ADRA2A P08913 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11069661 0.83 AKR1B1 (0.57) ADRA1AAKR1B1
SCHEMBL29760897 0.82 PNMT (0.59) P2RX7ALDH1A1MAPTPKMADRA2A
SCHEMBL3393837 0.82 PNMT (0.59) P2RX7ALDH1A1MAPTPKMADRA2A
SCHEMBL9711296 0.81 P2RX7 (0.44) P2RX7ALDH1A1MAPTLMNAMAPK1
SCHEMBL11561045 0.81 P2RX7 (0.57) P2RX7ALDH1A1MAPTADRA2AMEN1
SCHEMBL339508 0.81 P2RX7 (0.44) P2RX7ALDH1A1MAPTMEN1MAPK1
SCHEMBL1091961 0.80 PKM (0.64) ALDH1A1MAPTPKMLMNAKMT2A
Hydrochloric Acid SCHEMBL14167164 0.79 P2RX7 (0.43) P2RX7ALDH1A1MAPTPKMMEN1
SCHEMBL4100411 0.79 CYP3A4 (0.48) ALDH1A1CYP3A4HSD17B10KDM4E
SCHEMBL5210376 0.79 GAA (0.50) ALDH1A1MAPTMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7732480-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
US-7696241-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7388027-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-01 US disclosed
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
WO-2005089118-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-29 WO disclosed
WO-2005086735-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-22 WO disclosed
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US 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
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA P2RX7 2502/4885ALDH1A1 1211/4885MAPT 3316/4885
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method AR, NR5A1, ESRRA P2RX7 2576/4885ALDH1A1 1781/4885MAPT 4095/4885
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method AR, NR5A1, ESRRA P2RX7 2209/4885ALDH1A1 1793/4885MAPT 3927/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA P2RX7 2447/4885ALDH1A1 1051/4885MAPT 3480/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG P2RX7 1994/4885ALDH1A1 1002/4885MAPT 3653/4885
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, NR5A1 P2RX7 2673/4885ALDH1A1 1093/4885MAPT 4153/4885
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function AR, NR5A1, CYP19A1 P2RX7 1140/4885ALDH1A1 365/4885MAPT 3901/4885

“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.