SCHEMBL1330600

SCHEMBL1330600

O=C(O)c1[nH]ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIN1 Q13526 1/20 0.42
HPGD P15428 1/20 0.42
HNF4A P41235 1/20 0.41
PADI4 Q9UM07 1/20 0.40
KMO O15229 1/20 0.39
NOTUM Q6P988 1/20 0.39
BCAT2 O15382 1/20 0.39
PRKAA1 Q13131 2/20 0.39
POLB P06746 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL9223952 0.90 HNF4A (0.44) MAPTKDM4EALDH1A1CYP1A2MAPK1
SCHEMBL27633472 0.88 MAPT (0.48) MAPTALDH1A1HPGDHNF4APADI4
SCHEMBL7791409 0.84 MAPT (0.46) MAPTALDH1A1PADI4NOTUMBCAT2
SCHEMBL17604415 0.84 BCAT2 (0.50) MAPTMAPK1CYP2C19BCAT2PRKAA1
SCHEMBL1925378 0.82 MAPT (0.41) MAPTKDM4EALDH1A1CASP1CYP2C19
SCHEMBL15511168 0.82 AURKA (0.53) MAPTKDM4EALDH1A1NOTUMIKBKB
SCHEMBL20568646 0.81 KMO (0.47) MAPTKDM4EALDH1A1PIN1HPGD
SCHEMBL16007019 0.80 HTT (0.54) MAPTALDH1A1HPGDPADI4FGFR1
SCHEMBL20568173 0.77 RXRA (0.46) KDM4EALDH1A1HPGD
SCHEMBL7384701 0.77 XDH (0.50) PIN1IKBKBCHUKCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820191-B Diphenylamine compound and preparation method, application and pharmaceutical composition thereof FUDAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117820191-A Diphenylamine compound and preparation method, application and pharmaceutical composition thereof 复旦大学 2024-04-05 CN disclosed
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO disclosed
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
CN-101389352-A Agent for treating or preventing digestive ulcer ASTELLAS PHARMA INC (JP) 2009-03-18 CN disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
EP-0628042-A1 SEROTONINERGIC ERGOLINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-14 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 (7 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI MAPT 2741/4885KDM4E 2289/4885ALDH1A1 210/4885
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC MAPT 3583/4885KDM4E 1246/4885ALDH1A1 240/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN MAPT 4428/4885KDM4E 4662/4885ALDH1A1 959/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI MAPT 2741/4885KDM4E 2289/4885ALDH1A1 210/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P MAPT 1221/4885KDM4E 4217/4885ALDH1A1 3407/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAPT 3883/4885KDM4E 2965/4885ALDH1A1 3066/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN MAPT 4428/4885KDM4E 4662/4885ALDH1A1 959/4885

“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.