SCHEMBL826540

SCHEMBL826540

O=[N+]([O-])c1cc(Cl)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
PDE7A Q13946 4/20 0.40
POLB P06746 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL29736537 1.00 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPK1PDE7A
SCHEMBL28833103 0.80 MAP4K4 (0.44) ALDH1A1TDP1TSHRMAPK1PDE7A
SCHEMBL28720537 0.77 TSHR (0.48) ALDH1A1TDP1TSHRMAPTLMNA
SCHEMBL3862889 0.75 ALDH1A1 (0.44) ALDH1A1TDP1TSHRPOLBL3MBTL1
SCHEMBL5700377 0.75 GABRA1 (0.37) ALDH1A1TDP1TSHRL3MBTL1KMT2A
SCHEMBL7697285 0.75 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPK1POLB
SCHEMBL652346 0.75 MEN1 (0.39) ALDH1A1TDP1POLBPDE4DL3MBTL1
SCHEMBL7985686 0.75 GABRA1 (0.37) ALDH1A1TDP1TSHRPOLBL3MBTL1
SCHEMBL19791860 0.75 TDP1 (0.44) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL3614808 0.75 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4027995-B1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS SATURN INC (US) 2026-05-27 EP disclosed
EP-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
US-20250100995-A1 CEREBLON BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION 2025-03-27 US disclosed
CN-119462492-A Method for preparing 3-pyridyl-2-methyl naphthoate compound by catalysis 湖州学院 2025-02-18 CN disclosed
US-12215105-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2025-02-04 US disclosed
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed
CN-118434727-A Substituted pyrimidinone derivatives, pharmaceutical compositions and pharmaceutical uses thereof 上海海雁医药科技有限公司 2024-08-02 CN disclosed
CN-117654560-B Method for continuously preparing nitro compound by oxidizing amino 安徽泽升科技股份有限公司 2024-06-04 CN disclosed
EP-4359406-A1 CEREBLON BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Celgene Corporation (US) 2024-05-01 EP disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 US disclosed
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 US disclosed
EP-1897875-A1 Process for producing 1-pyridin-4-YL-indoles Fujifilm Finechemicals Co. Ltd. (JP) 2008-03-12 EP disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (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-20250100995-A1 CEREBLON BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CRBN, AR, ESRRA ALDH1A1 709/4885TDP1 2678/4885TSHR 883/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALDH1A1 3867/4885TDP1 3909/4885TSHR 3422/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885TDP1 4088/4885TSHR 2980/4885
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free IDO1, IDO2, TDO2 ALDH1A1 639/4885TDP1 1515/4885TSHR 1238/4885
US-12215105-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 ALDH1A1 4740/4885TDP1 2107/4885TSHR 4353/4885

“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.