SCHEMBL3138744

SCHEMBL3138744

COc1ccc2ccc(Br)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.61
CYP1A2 P05177 1/20 0.61
FLT3 P36888 1/20 0.53
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCEH1 Q6PIU2 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GSTP1 P09211 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL227023 0.96 CYP2A6 (0.60) CYP2A6CYP1A2FLT3RAB9ALMNA
SCHEMBL29967341 0.96 CYP2A6 (0.60) CYP2A6CYP1A2FLT3RAB9ALMNA
Ammonia Solution, Strong SCHEMBL8045635 0.93 CYP2A6 (0.58) CYP2A6CYP1A2FLT3RAB9ALMNA
SCHEMBL7529485 0.93 CYP2A6 (0.58) CYP2A6CYP1A2FLT3RAB9ALMNA
Methyl Alcohol SCHEMBL29235760 0.91 FLT3 (0.57) CYP2A6CYP1A2FLT3RAB9ALMNA
SCHEMBL9381604 0.90 CA12 (0.52) CYP2A6CYP1A2FLT3RAB9ALMNA
SCHEMBL29367032 0.86 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL443528 0.86 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL6891918 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL7456084 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12495717-B2 Amine compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2025-12-09 US disclosed
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2024-06-04 US disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
CN-117417261-A 2, 3-substituted naphthylamine derivative organic light-emitting compound and organic electroluminescent device CMDL有限公司 2024-01-19 CN disclosed
CN-111868028-B Amine compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-08 CN disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 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 (5 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-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R CYP2A6 3845/4885CYP1A2 3205/4885FLT3 356/4885
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS CYP2A6 4025/4885CYP1A2 4522/4885FLT3 2568/4885
US-12495717-B2 Amine compound and organic light emitting diode comprising same DRD1, RNF10, DRD2 CYP2A6 1706/4885CYP1A2 316/4885FLT3 3641/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS CYP2A6 4025/4885CYP1A2 4522/4885FLT3 2568/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R CYP2A6 3845/4885CYP1A2 3205/4885FLT3 356/4885

“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.