SCHEMBL109386

SCHEMBL109386

COc1ccc(N)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 4/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 2/20 0.54
TDP1 Q9NUW8 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MAPK1 P28482 1/20 0.48

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
SCHEMBL15540573 0.87 SMN1; SMN2 (0.66) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL31449970 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL114121 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL5982888 0.83 NR4A1 (0.61) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL23202512 0.83 ALDH1A1 (0.52) ALDH1A1CYP3A4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3279318 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL27817544 0.81 TUBB4A (0.58) KDM4ECYP1A2
SCHEMBL29568160 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL91981 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL234263 0.80 ALDH1A1 (0.64) ALDH1A1CYP3A4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478474-B Amide compound and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-06-30 CN claimed
CN-102199099-B Method for preparing 3-bromo-4-methoxyaniline UNIV CHANGZHOU 2013-12-18 CN claimed
CN-102199099-A Method for preparing 3-bromo-4-methoxyaniline UNIV CHANGZHOU 2011-09-28 CN claimed
US-12516058-B2 Small-molecule compounds for controlling endosomal toll-like receptors and therapeutic agent for autoimmune diseases using same S&K THERAPEUTICS (KR) 2026-01-06 US disclosed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed
EP-3796905-B1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES UNIV ILLINOIS (US) 2025-08-06 EP disclosed
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-07-10 US disclosed
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-04-29 US disclosed
CN-119462529-A Method for synthesizing quinazoline diketone compound 广西师范大学 2025-02-18 CN disclosed
US-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed
US-6100254-A Inhibitors of protein tyrosine kinases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-08-08 US disclosed
US-6046195-A Spiro-azacyclic derivatives, their preparation and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US disclosed
CN-1225009-A Pentafluorobenzenesulfonamides and analogs thereof TULARIK INC (US) 1999-08-04 CN disclosed
EP-0929554-A1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-07-21 EP disclosed
CN-1223656-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME (GB) 1999-07-21 CN disclosed
WO-1999019306-A2 2,3-BENZODIAZEPIN-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF PROTEIN TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-04-22 WO disclosed
WO-1998013369-A1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1998-04-02 WO disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 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 (4 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 ALDH1A1 238/4885CYP3A4 3671/4885MEN1 1305/4885
US-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885MEN1 4465/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885CYP3A4 9/4885MEN1 4869/4885
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885MEN1 4465/4885

“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.