SCHEMBL1745003

SCHEMBL1745003

Brc1ccc(SC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.44
MAOA P21397 6/20 0.44
CYP2A6 P11509 1/20 0.40
CRBN Q96SW2 1/20 0.36
KDM1A O60341 5/20 0.33
KCNH2 Q12809 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
RIPK1 Q13546 1/20 0.33
KDM1B Q8NB78 1/20 0.33
PTGIR P43119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13609520 0.91 MAOA (0.50) MAOBMAOACYP2A6CRBNRIPK1
SCHEMBL5429182 0.91 MAOA (0.55) MAOBMAOACYP2A6CRBNPTGIR
SCHEMBL30939414 0.89 MAOB (0.44) MAOBMAOACYP2A6CRBNKDM1A
SCHEMBL29850010 0.89 MAOB (0.44) MAOBMAOACYP2A6CRBNKDM1A
SCHEMBL30892876 0.89 MAOA (0.58) MAOBMAOACYP2A6PTGIRSMN1; SMN2
SCHEMBL5215573 0.85 MAOA (0.42) MAOBMAOACYP2A6CRBNKDM1A
SCHEMBL1939589 0.85 MAOA (0.44) MAOBMAOACYP2A6CRBNKDM1A
SCHEMBL14081453 0.82 CARM1 (0.43) MAOBMAOASMN1; SMN2CARM1PRMT6
SCHEMBL25866081 0.82 CARM1 (0.36) MAOBMAOACRBNRIPK1CARM1
SCHEMBL24111487 0.79 CYP2A6 (0.35) MAOBMAOACYP2A6CRBNRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612379-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-28 US disclosed
EP-4694874-A2 GPX4 INHIBITORS AND SENOLYTIC COMPOUNDS AND USES THEREOF Rubedo Life Sciences, Inc. (US) 2026-02-18 EP disclosed
US-20260007689-A1 GPX4 Inhibitors and Senolytic Compounds and Uses Thereof RUBEDO LIFE SCIENCES INC (US) 2026-01-08 US disclosed
US-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
US-12485132-B2 GPX4 inhibitors and senolytic compounds and uses thereof Rubedo Life Sciences, Inc. (US) 2025-12-02 US disclosed
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYSOWAY THERAPEUTICS INC (US) 2025-10-30 US disclosed
US-20250319109-A1 GPX4 Inhibitors and Senolytic Compounds and Uses Thereof RUBEDO LIFE SCIENCES INC (US) 2025-10-16 US disclosed
US-20250270194-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-08-28 US disclosed
US-20250243220-A1 ATR INHIBITORS APREA THERAPEUTICS, INC. 2025-07-31 US disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (11 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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 MAOB 828/4885MAOA 724/4885CYP2A6 1837/4885
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B MAOB 1194/4885MAOA 640/4885CYP2A6 436/4885
US-20260007689-A1 GPX4 Inhibitors and Senolytic Compounds and Uses Thereof GPX4, GPX1, PRDX4 MAOB 990/4885MAOA 888/4885CYP2A6 1293/4885
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD MAOB 901/4885MAOA 807/4885CYP2A6 1073/4885
US-12612379-B2 Inhibitors of APOL1 and methods of using same APOL1, RNASE1, LOXL1 MAOB 1508/4885MAOA 1486/4885CYP2A6 2903/4885
US-20250319109-A1 GPX4 Inhibitors and Senolytic Compounds and Uses Thereof GPX4, GPX1, PRDX3 MAOB 1289/4885MAOA 1384/4885CYP2A6 2826/4885
US-20250243220-A1 ATR INHIBITORS ATR, CHEK1, CHEK2 MAOB 4196/4885MAOA 4622/4885CYP2A6 4373/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MAOB 81/4885MAOA 102/4885CYP2A6 40/4885
US-20250270194-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CYP51A1, CYP11B2, CYP11B1 MAOB 1834/4885MAOA 3007/4885CYP2A6 118/4885
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF STOML2, ATP2A3, ATP2A1 MAOB 2519/4885MAOA 2481/4885CYP2A6 3972/4885
US-12485132-B2 GPX4 inhibitors and senolytic compounds and uses thereof GPX4, GPX1, PRDX3 MAOB 1289/4885MAOA 1384/4885CYP2A6 2826/4885

“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.