SCHEMBL2946181

SCHEMBL2946181

COc1cc(C(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
TTR P02766 1/20 0.50
ABCB1 P08183 2/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL16961068 0.88 ALDH1A1 (0.53) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL9657508 0.87 L3MBTL1 (0.64) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL30825381 0.87 ALDH1A1 (0.62) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL223878 0.87 TTR (0.64) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL29753668 0.87 TTR (0.64) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL4337680 0.87 ALDH1A1 (0.62) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL22698 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL223645 0.85 PARP1 (0.55) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL310574 0.85 VCAM1 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29689258 0.85 PARP1 (0.55) ALDH1A1LMNAGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206762-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-06-26 US disclosed
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SUZHOU YABAO PHARMACEUTICAL R&D CO., LTD. (CN) 2023-12-07 US disclosed
WO-2023192348-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-05 WO disclosed
US-11773118-B2 Methods of making high enantioselective secondary alcohols OBI PHARMA, INC. (TW) 2023-10-03 US disclosed
US-11773118-B2 Methods of making high enantioselective secondary alcohols OBI PHARMA, INC. (TW) 2023-10-03 US disclosed
EP-4238975-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Yabao Pharmaceutical R&D Co., Ltd. (CN) 2023-09-06 EP disclosed
CN-114426542-B Substituted diarylamine compounds, pharmaceutical compositions, preparation method and use thereof 苏州亚宝药物研发有限公司 2023-06-30 CN disclosed
CN-110831940-B New substituted azaindoline derivatives as NIK inhibitors 詹森药业有限公司 2023-06-20 CN disclosed
WO-2022089497-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州亚宝药物研发有限公司 2022-05-05 WO disclosed
CN-114426542-A Substituted diarylamine compounds, pharmaceutical compositions, methods of preparation and uses thereof 苏州亚宝药物研发有限公司 2022-05-03 CN disclosed
WO-2008011045-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-24 WO disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 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 (6 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1463/4885LMNA 4821/4885GAA 2473/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 ALDH1A1 2048/4885LMNA 4827/4885GAA 2232/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1463/4885LMNA 4821/4885GAA 2473/4885
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF LRRK2, COMT, PARK7 ALDH1A1 1791/4885LMNA 971/4885GAA 41/4885
US-20250206762-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS OPRM1, TRPA1, ICMT ALDH1A1 549/4885LMNA 4575/4885GAA 3371/4885
US-11773118-B2 Methods of making high enantioselective secondary alcohols ADH5, OSTC, ADH1A ALDH1A1 91/4885LMNA 4535/4885GAA 1623/4885

“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.