SCHEMBL2963949

SCHEMBL2963949

Cc1cc(N)c(C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CD44 P16070 1/20 0.44
GAA P10253 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 1/20 0.38
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 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
SCHEMBL29434817 1.00 ALDH1A1 (0.46) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL868747 0.86 ALDH1A1 (0.53) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL16728590 0.82 ALDH1A1 (0.44) ALDH1A1CD44GAATSHRMAPT
SCHEMBL1004002 0.80 ACHE (0.40) ALDH1A1CD44TSHRLMNAMAPT
SCHEMBL5505433 0.79 CD44 (0.44) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL345827 0.79 CYP3A4 (0.50) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL2669824 0.79 CD44 (0.44) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL8335117 0.79 CYP3A4 (0.46) ALDH1A1CD44GAATSHRCYP3A4
SCHEMBL15426479 0.77 RAPGEF4 (0.38) ALDH1A1CD44GAATSHRKDM4E
SCHEMBL22587947 0.75 ALDH1A1 (0.43) ALDH1A1CD44GAATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
EP-3305760-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-04-11 EP disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP 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
US-4187247-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4163103-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4113487-A LAYER OF PHOTO-SETTING AND EXPANDABLE RESIN EXPOSED TO PARTIALLY SCREENED LIGHT TOPPAN PRINTING CO., LTD. (JP) 1978-09-12 US disclosed
US-4107190-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4054589-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-18 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 (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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1211/4885CD44 4640/4885GAA 3304/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1051/4885CD44 4815/4885GAA 2937/4885
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES ARSA, SULT1E1, STS ALDH1A1 378/4885CD44 4858/4885GAA 1211/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS ALDH1A1 378/4885CD44 4858/4885GAA 1211/4885

“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.