SCHEMBL805064

SCHEMBL805064

Cc1ccc(O)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
AR P10275 3/20 0.46
ACHE P22303 1/20 0.43
ESR2 Q92731 9/20 0.42
ESR1 P03372 8/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MIF P14174 1/20 0.41
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL718880 0.82 TSHR (0.48) TSHRARESR2ESR1CA9
SCHEMBL1697195 0.78 CA9 (0.46) ARESR2ESR1CA9CA12
SCHEMBL29473510 0.78 CA9 (0.46) ARESR2ESR1CA9CA12
SCHEMBL28790418 0.77 ACHE (0.43) TSHRACHEESR2ESR1CA9
SCHEMBL2814231 0.77 ACHE (0.43) TSHRACHEESR2ESR1CYP3A4
SCHEMBL1267040 0.76 ESR2 (0.44) ARESR2ESR1CA9CA12
SCHEMBL30509593 0.76 TSHR (0.52) TSHRARALDH1A1
SCHEMBL101714 0.76 TSHR (0.52) TSHRARALDH1A1
SCHEMBL1003188 0.74 TSHR (0.50) TSHRARCA9CA12CA2
Bromide SCHEMBL28616522 0.74 ESR2 (0.43) ARESR2ESR1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673138-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
CN-113382767-B Urea compounds having substituents 第一三共株式会社 2024-12-24 CN disclosed
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-11-12 US disclosed
WO-2024182739-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
US-11981686-B2 Urea compound having substituent DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-05-14 US disclosed
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-23 US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-11981686-B2 Urea compound having substituent SIRT6, SIRT1, SIRT2 TSHR 3651/4885AR 2030/4885ACHE 2730/4885
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF GABRE, GRIN2C, GRIN2A TSHR 2411/4885AR 4592/4885ACHE 64/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 TSHR 263/4885AR 796/4885ACHE 62/4885
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT SIRT6, SIRT1, SIRT2 TSHR 3651/4885AR 2030/4885ACHE 2730/4885
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B TSHR 919/4885AR 1032/4885ACHE 3702/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A TSHR 2817/4885AR 2466/4885ACHE 229/4885
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers RFC3, RFC2, RFC4 TSHR 2661/4885AR 3816/4885ACHE 3269/4885

“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.