SCHEMBL956691

SCHEMBL956691

COc1ccc(C(C)C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
GAA P10253 3/20 0.55
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PBRM1 Q86U86 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
SLC2A1 P11166 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6565095 0.83 ESR1 (0.43) ALDH1A1GAATSHRCYP1A2CYP2C19
SCHEMBL9177143 0.83 ABCB11 (0.56) LMNATSHRTDP1L3MBTL1CYP1A2
SCHEMBL2912071 0.83 ABCB11 (0.56) LMNATSHRTDP1L3MBTL1CYP1A2
SCHEMBL23255695 0.83 ABCB11 (0.56) LMNATSHRTDP1L3MBTL1CYP1A2
SCHEMBL29819475 0.83 ABCB11 (0.56) LMNATSHRTDP1L3MBTL1CYP1A2
SCHEMBL5054937 0.80 ALDH1A1 (0.60) ALDH1A1GAACA1CA2CA12
SCHEMBL5176160 0.80 ALDH1A1 (0.56) ALDH1A1GAACA1CA2CA12
SCHEMBL10778456 0.79 ALDH1A1 (0.51) ALDH1A1GAACA1CA2CA12
SCHEMBL4713706 0.78 ALDH1A1 (0.48) ALDH1A1GAACYP1A2CYP2D6CYP2C19
SCHEMBL911096 0.78 CA1 (0.48) ALDH1A1GAACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777060-B2 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-08-17 US claimed
CN-122054801-A Solar cell, preparation method thereof, photovoltaic module, power utilization device and power generation device 宁德时代新能源科技股份有限公司 2026-05-15 CN disclosed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 US disclosed
EP-3383838-B1 PROCESS FOR THE CATALYTIC REVERSIBLE UNSATURATED HYDROCARBON-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2023-10-25 EP disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
CN-110845364-B Preparation method of nitrile compound with formamide as cyanogen source 湘潭大学 2023-02-03 CN disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
US-4647559-A ANTISECRETORY AND ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-03-03 US disclosed
US-4639442-A ANTIULCER WILLIAM H. RORER, INC. (US) 1987-01-27 US disclosed
US-4638001-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-01-20 US disclosed
EP-0182815-A4 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1986-10-14 EP disclosed
US-4611078-A ANTIDEPRESSANT INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-09 US disclosed
EP-0182815-A1 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1986-06-04 EP disclosed
US-4588719-A ANTISCERETORY AGENTS, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-05-13 US disclosed
WO-1985005032-A1 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1985-11-21 WO disclosed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 US disclosed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP 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 (3 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-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ALDH1A1 316/4885GAA 4164/4885CA1 3888/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ALDH1A1 316/4885GAA 4164/4885CA1 3888/4885
US-12077542-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 ALDH1A1 316/4885GAA 4164/4885CA1 3888/4885

“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.