Sugi Predict

Sugi Predict / Compounds / SCHEMBL2465626

SCHEMBL2465626

SCHEMBL2465626

OB(O)c1ccccc1CN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 7/20 0.65
▸ CYP2C9 P11712 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CXCR4 P61073 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL29957045 1.00 CYP2A13 (0.65) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL29951393 0.98 CYP2A13 (0.63) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL2561882 0.94 CYP2A13 (0.58) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL21352377 0.84 ALDH1A1 (0.55) CYP2A13ALDH1A1KMT2AMEN1KDM4E
SCHEMBL29504703 0.84 ALDH1A1 (0.55) CYP2A13ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28983737 0.84 KDM4E (0.53) CYP2A13ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11193326 0.83 CYP2A13 (0.75) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL29954918 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL29952724 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL2464403 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 — — WO claimed
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 — — US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 — — US disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 — — CN disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 — — US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 — — EP disclosed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 — — EP disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 — — US disclosed
US-9296741-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-03-29 — — US disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 — — EP disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 — — US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 — — US disclosed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 — — US disclosed
US-7041666-B2 Adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2006-05-09 — — US disclosed
EP-1453835-B1 ADENOSINE A 2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2006-02-15 — — EP disclosed
EP-1585517-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-10-19 — — EP disclosed
EP-1453835-A2 ADENOSINE A 2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2004-09-08 — — EP disclosed
WO-2004062663-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 — — WO disclosed
US-20030212080-A1 Adenosine A2a receptor antagonists SCHERING CORPORATION 2003-11-13 — — US disclosed
WO-2003048164-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-06-12 — — 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 (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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CYP2A13 1172/4885CYP2C9 2804/4885ALOX15 3106/4885
US-20090105251-A1 Renin inhibitors REN, ACE, AGT CYP2A13 284/4885CYP2C9 321/4885ALOX15 1867/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CYP2A13 1172/4885CYP2C9 2804/4885ALOX15 3106/4885
US-20030212080-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CYP2A13 1131/4885CYP2C9 1470/4885ALOX15 1505/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CYP2A13 1172/4885CYP2C9 2804/4885ALOX15 3106/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CYP2A13 1172/4885CYP2C9 2804/4885ALOX15 3106/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 CYP2A13 1117/4885CYP2C9 1739/4885ALOX15 4350/4885

“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.