SCHEMBL671217

SCHEMBL671217

O=Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.74
▸ PIM3 Q86V86 2/20 0.63
▸ PIM1 P11309 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ IMPDH2 P12268 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ GPR84 Q9NQS5 1/20 0.53
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ NR4A2 P43354 1/20 0.47
▸ HTR2A P28223 1/20 0.47

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
SCHEMBL3459734 0.86 CYP2A6 (0.61) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL29951219 0.85 CYP2A6 (1.00) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL1081911 0.85 CYP2A6 (1.00) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL27914672 0.81 CYP2A6 (0.55) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL29954011 0.81 ALDH1A1 (0.62) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL31448048 0.78 KMT2A (0.56) CYP2A6ALDH1A1MAPTKMT2AMEN1
SCHEMBL19178949 0.78 KMT2A (0.56) CYP2A6ALDH1A1MAPTKMT2AMEN1
SCHEMBL844850 0.78 PIM3 (1.00) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL13057797 0.78 ALDH1A1 (0.58) CYP2A6PIM3PIM1ALDH1A1CYP1A2
SCHEMBL337458 0.78 ALDH1A1 (0.58) CYP2A6ALDH1A1CYP1A2CYP2C19IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126771-A1 PROCESS FOR PREPARING (Z)-3-(2-(5-BROMO-1H-INDOL-3-YL)-2-CYANOVINYL)-4-METHOXYBENZONITRILE EVEXTA BIO (FR) 2024-06-20 — — WO claimed
US-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2026-02-26 — — US disclosed
EP-4603484-A2 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS Georgia State University Research Foundation, Inc. (US) 2025-08-20 — — EP disclosed
US-20250197423-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-06-19 — — US disclosed
US-20250177538-A1 Methods for synthesizing deuterated formylindoles ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-06-05 — — US disclosed
EP-4563575-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-06-04 — — EP disclosed
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 — — WO disclosed
CN-119837855-A Compounds for the treatment of bacterial infections and for the enhancement of antibiotics 乔治亚州大学研究基金会 2025-04-18 — — CN disclosed
CN-119816489-A Polysubstituted tetrahydroisoquinoline compound, preparation method, pharmaceutical composition and application 中国科学院上海药物研究所 2025-04-11 — — CN disclosed
CN-119798279-A RAS inhibitors 锐新医药公司 2025-04-11 — — CN disclosed
US-5565584-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-15 — — US disclosed
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 — — US disclosed
US-5550247-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, COGNITION ACTIVATORS, BACTERICIDES, FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-27 — — US disclosed
US-5534640-A REDUCING INFLAMMATION AND CELL PROLIFERATION, COGNITION ACTIVATORS, BACTERIOSTATS, FUNGISTATS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 — — US disclosed
US-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 — — US disclosed
US-5519062-A ANTIINFLAMMATORY HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-05-21 — — US disclosed
US-5488063-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 — — US disclosed
US-5488061-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 — — US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 — — EP disclosed
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 — — 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 (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-20250177538-A1 Methods for synthesizing deuterated formylindoles TDO2, CISD2, ALAD CYP2A6 848/4885PIM3 4492/4885PIM1 4839/4885
US-20250197423-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2A6 3875/4885PIM3 651/4885PIM1 506/4885
US-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF TFEB, SNCA, PARK7 CYP2A6 2730/4885PIM3 3565/4885PIM1 3631/4885

“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.

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