SCHEMBL6172

SCHEMBL6172

O=Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
CYP3A4 P08684 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
ERN1 O75460 1/20 0.56
MKNK1 Q9BUB5 4/20 0.55
MKNK2 Q9HBH9 4/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TTK P33981 1/20 0.53
KIF11 P52732 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP2E1 P05181 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2B6 P20813 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL30088429 1.00 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
Trifluoroacetic Acid SCHEMBL7012854 0.86 MKNK1 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL13907273 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29360677 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL6753899 0.82 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
SCHEMBL6753897 0.82 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
SCHEMBL844773 0.81 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
SCHEMBL29569162 0.81 ERN1 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1
SCHEMBL958907 0.81 ERN1 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116622087-A MOFs material constructed by acid-base mixed ligand and preparation method thereof 嘉兴学院 2023-08-22 CN claimed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
US-20260078104-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2026-03-19 US disclosed
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 US disclosed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-12545656-B2 Organic light-emitting compound and organic electroluminescent device using the same SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2026-02-10 US disclosed
US-20240368147-A1 CYCLIN K DEGRADER ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2024-11-07 US disclosed
EP-4382519-A1 CYCLIN K DEGRADATION AGENT Adlai Nortye Biopharma Co., Ltd. (CN) 2024-06-12 EP disclosed
US-11980613-B2 Methods for reversing HIV latency using BAF complex modulating compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-05-14 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
EP-0656897-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-06-14 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
WO-1994005660-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-03-17 WO disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
CN-1040366-A Butenoic acid or acrylic acid derivative EISAI CO LTD (JP) 1990-03-14 CN disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 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 (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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK CYP2A6 268/4885CYP3A4 1033/4885ALDH1A1 290/4885
US-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 CYP2A6 125/4885CYP3A4 1946/4885ALDH1A1 3621/4885
US-20240368147-A1 CYCLIN K DEGRADER CCNK, CCNI, CDK1 CYP2A6 1473/4885CYP3A4 2671/4885ALDH1A1 3968/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CYP2A6 805/4885CYP3A4 3383/4885ALDH1A1 2005/4885
US-12545656-B2 Organic light-emitting compound and organic electroluminescent device using the same ELOVL1, EPB41L2, L1CAM CYP2A6 1687/4885CYP3A4 349/4885ALDH1A1 268/4885
US-11980613-B2 Methods for reversing HIV latency using BAF complex modulating compounds CHD1L, SMARCC1, CHD1 CYP2A6 3991/4885CYP3A4 4332/4885ALDH1A1 4091/4885
US-20260078104-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOC, ELOVL1, EMC1 CYP2A6 2008/4885CYP3A4 1608/4885ALDH1A1 1368/4885

“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.