SCHEMBL29429960

SCHEMBL29429960

O=[N+]([O-])c1cc(Br)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HIF1A Q16665 1/20 0.62
VCAM1 P19320 1/20 0.58
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
S100A4 P26447 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL40706 1.00 ALDH1A1 (0.62) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL6619 0.83 TDP1 (0.64) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL29399835 0.83 TDP1 (0.64) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL28871017 0.81 TDP1 (0.50) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL1561802 0.80 TSHR (0.56) ALDH1A1S100A4TRPV1ATMTDP1
Ethylene SCHEMBL27608389 0.80 TDP1 (0.60) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL12577116 0.79 ALDH1A1 (0.38) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL204357 0.78 S100A4 (0.61) ALDH1A1S100A4TRPV1MAPTMAPK1
SCHEMBL29395434 0.78 S100A4 (0.56) ALDH1A1S100A4TRPV1MAPTLMNA
SCHEMBL11579276 0.78 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
EP-4655073-A2 CEREBLON-BASED KRAS DEGRADING PROTACS ANS USES RELATED THERETO Arvinas Operations, Inc. (US) 2025-12-03 EP disclosed
US-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-10-28 US disclosed
WO-2025136671-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
WO-2025108411-A1 EP300/CBP REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京沐华生物科技有限责任公司 2025-05-30 WO disclosed
WO-2025096706-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
WO-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
WO-2025096771-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
EP-4540230-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2023007188-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-02-02 WO disclosed
EP-4110765-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2023-01-04 EP disclosed
EP-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
WO-2022189387-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-15 WO disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
WO-2022108984-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MACROCYCLIC MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-05-27 WO disclosed
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-05-19 US disclosed
WO-2022081758-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
EP-3976189-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos N.V. (BE) 2022-04-06 EP disclosed
WO-2022067063-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-31 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 (2 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-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof MLLT1, WDR77, MLLT3 ALDH1A1 2270/4885HIF1A 2343/4885VCAM1 2264/4885
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF MLLT1, WDR77, MLLT3 ALDH1A1 2270/4885HIF1A 2343/4885VCAM1 2264/4885

“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.