SCHEMBL141880

SCHEMBL141880

O=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.59
ERBB2 P04626 7/20 0.59
MAPT P10636 6/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.49
MGMT P16455 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL29555766 1.00 EGFR (0.59) EGFRERBB2MAPTHPGDLMNA
SCHEMBL12727546 0.88 MAPT (0.50) EGFRERBB2MAPTHPGDLMNA
SCHEMBL3366592 0.87 MEN1 (0.51) EGFRERBB2MAPTKMT2ARAB9A
SCHEMBL30152254 0.87 MEN1 (0.51) EGFRERBB2MAPTKMT2ARAB9A
SCHEMBL31193460 0.85 CYP19A1 (0.58) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL1578358 0.85 CYP19A1 (0.58) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL2191697 0.85 MAPT (0.65) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL29433280 0.85 MAPT (0.65) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL1406869 0.85 MRGPRX4 (0.54) EGFRERBB2MAPTKMT2ACYP1A2
SCHEMBL12173128 0.85 MAPT (0.55) MAPTHPGDLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO claimed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 CN claimed
CN-115073361-B Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2024-04-12 CN disclosed
CN-114315595-B Preparation method of carbon-supported iron-based catalyst and application of intermediate synthesis of anticancer inhibitor of carbon-supported iron-based catalyst 奥锐特药业股份有限公司 2023-12-05 CN disclosed
CN-116655599-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2023-08-29 CN disclosed
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO disclosed
CN-115073361-A Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2022-09-20 CN disclosed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 CN disclosed
CN-108017575-B Method for synthesizing crizotinib intermediate by using microchannel reactor 黑龙江鑫创生物科技开发有限公司 2021-03-30 CN disclosed
CN-107556295-B Quinazoline derivatives and process for their preparation 正大天晴药业集团股份有限公司 2020-09-04 CN disclosed
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-07-16 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 WO disclosed
US-20040053946-A1 Cancer treatment method NOVARTIS AG (CH) 2004-03-18 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed
EP-1353693-A2 PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT FOR THE TREATMENT OF CANCER GLAXO GROUP LIMITED (GB) 2003-10-22 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2002056912-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT GLAXO GROUP LIMITED (GB) 2002-07-25 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 (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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 EGFR 1698/4885ERBB2 1018/4885MAPT 753/4885
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB2 5/4885MAPT 2472/4885
US-20040053946-A1 Cancer treatment method TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885MAPT 4050/4885

“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.