SCHEMBL5657641

SCHEMBL5657641

O=[N+]([O-])c1ccc(SCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
CES1 P23141 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
SCHEMBL5105394 0.89 CA2 (0.56) MAPTALDH1A1POLBTSHRCA12
SCHEMBL8746687 0.88 ALDH1A1 (0.64) MAPTALDH1A1POLBTSHRLMNA
SCHEMBL9628611 0.87 CA2 (0.57) MAPTALDH1A1POLBTSHRCA12
SCHEMBL25241780 0.86 CA2 (0.58) MAPTALDH1A1POLBTSHRCA2
SCHEMBL7354209 0.86 CA2 (0.58) MAPTALDH1A1POLBTSHRCA2
SCHEMBL25233694 0.86 CA2 (0.58) MAPTALDH1A1POLBTSHRCA2
SCHEMBL9570633 0.82 MAPT (0.58) MAPTALDH1A1POLBCA2IDO1
SCHEMBL7297643 0.82 MAPT (0.58) MAPTALDH1A1POLBTSHRLMNA
3-Chloropropanol SCHEMBL6622032 0.82 CA2 (0.49) MAPTALDH1A1POLBTSHRCA2
SCHEMBL5280249 0.81 MAPT (0.57) MAPTALDH1A1POLBCA12CA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
CN-107739323-A A kind of method for preparing p-Aminophenyl-β-hydroxyethyl sulfone sulfate 宿迁远扬生物科技有限公司 2018-02-27 CN disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0252352-A2 Highly soluble antibacterially active organic salts of pyridobenzothiazines and their preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1988-01-13 EP disclosed
EP-0092909-B1 PROCESS FOR PRODUCING AMINOPHENYL-BETA-HYDROXYETHYLSULFONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed
US-4612394-A Process for producing aminophenyl-β-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 US disclosed
EP-0092909-A2 Process for producing aminophenyl-beta-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 EP disclosed
EP-0053693-A1 Penicillins, their salts, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-06-16 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 (1 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 MAPT 3095/4885ALDH1A1 519/4885POLB 3578/4885

“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.