SCHEMBL1716682

SCHEMBL1716682

CN(C)c1ccnc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 6/20 1.00
KDM5A P29375 3/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM5B Q9UGL1 2/20 0.55
KDM3A Q9Y4C1 2/20 0.55
MAPT P10636 2/20 0.55
KDM6B O15054 1/20 0.55
TET3 O43151 1/20 0.55
KDM4A O75164 1/20 0.55
BBOX1 O75936 1/20 0.55
KDM5C P41229 1/20 0.55
ASPH Q12797 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
TET2 Q6N021 1/20 0.55
ALKBH5 Q6P6C2 1/20 0.55
KDM7A Q6ZMT4 1/20 0.55
KDM8 Q8N371 1/20 0.55
TET1 Q8NFU7 1/20 0.55
EGLN2 Q96KS0 1/20 0.55

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
SCHEMBL30209742 1.00 KDM4E (1.00) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL12256869 0.85 ALDH1A1 (0.73) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL8861151 0.80 KDM4E (0.67) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL30209724 0.80 ALDH1A1 (0.67) KDM4EALDH1A1KDM4CKDM3AMAPT
SCHEMBL12591131 0.80 ALDH1A1 (0.67) KDM4EALDH1A1KDM4CKDM3AMAPT
SCHEMBL9943692 0.80 ALDH1A1 (0.67) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL2464624 0.79 KDM4E (0.65) KDM4EALDH1A1MAPTSMN1; SMN2SIRT2
SCHEMBL14876436 0.77 KDM4E (0.62) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL29094918 0.77 ALDH1A1 (0.62) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL2198354 0.76 KDM4E (0.60) KDM4EALDH1A1KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591636-B2 Plating catalyst and method ROHM AND HAAS ELECTRONICS MATERIALS LLC (US) 2013-11-26 US claimed
WO-2013090161-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO claimed
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US claimed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
EP-4157821-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2023-04-05 EP disclosed
CN-115867535-A Substituted benzamides as modulators of TREX1 星座制药公司 2023-03-28 CN disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
CN-106458880-B Organic selenium compound, preparation method and its medicinal usage especially as antitumor agent 特瑞海德公司 2019-09-10 CN disclosed
EP-2465974-B1 Plating catalyst and method ROHM & HAAS ELECT MAT (US) 2018-11-28 EP disclosed
CN-103415507-B As the 3-amino-pyridine class of GPBAR1 agonist HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
CN-1149191-C Azetidine derivatives, Preparation and medicines containing them ���ĵ�˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
US-20040086742-A1 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION 2004-05-06 US disclosed
WO-2004016711-A1 ORGANIC LIGHT EMITTING MATERIALS AND DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-02-26 WO disclosed
US-6687266-B1 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION 2004-02-03 US disclosed
CN-1082061-C Cumarin and quinolinone derivatives for preparing liquid crystal orientation layers ROLIC AG (CH) 2002-04-03 CN disclosed
CN-1316991-A Azetidine derivatives, preparation and medicines containing them AVENTIS PHARMA SA (FR) 2001-10-10 CN disclosed
CN-1242368-A New imidazotriazolopyrimidines, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2000-01-26 CN disclosed
CN-1239949-A Novel heterocyclic substituted benzamides and their use for the control of diseases BASF AG (DE) 1999-12-29 CN disclosed
CN-1159815-A Cumarin and quinolinone derivatives for preparing liquid crystal orientation layers HOFFMANN LA ROCHE (CH) 1997-09-17 CN 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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 KDM4E 2037/4885ALDH1A1 327/4885KDM5A 1879/4885
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 KDM4E 1955/4885ALDH1A1 891/4885KDM5A 1551/4885

“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.