SCHEMBL2191052

SCHEMBL2191052

COc1ccc(NC(C)=O)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.75
HSD17B2 P37059 1/20 0.75
ALDH1A1 P00352 3/20 0.73
MAPT P10636 4/20 0.69
MEN1 O00255 1/20 0.69
PKM P14618 1/20 0.69
KMT2A Q03164 1/20 0.69
CYP1A1 P04798 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP1B1 Q16678 1/20 0.67
HPGD P15428 1/20 0.67
LMNA P02545 2/20 0.63
GAA P10253 2/20 0.63
NPC1 O15118 1/20 0.63
AHR P35869 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 1/20 0.60
GLA P06280 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL30622065 1.00 HSD17B1 (0.75) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL18415558 0.87 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL3009193 0.86 HSD17B1 (1.00) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL5833241 0.86 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL11660515 0.86 ALDH1A1 (0.73) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL2502603 0.86 MAPT (0.71) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL5657703 0.85 ALDH1A1 (0.66) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL27860047 0.85 HSD17B1 (0.58) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL30615269 0.84 HSD17B1 (0.57) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL14384842 0.84 MEN1 (0.62) HSD17B1HSD17B2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003176-A Benzimidazoles compound and its application containing amide 沈阳药科大学 2019-07-12 CN claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
CN-117088864-A Benzo [ d ] isoxazole compound and application thereof 广州智药生物科技有限公司 2023-11-21 CN disclosed
WO-2023217063-A1 BENZO[D]ISOXAZOLE COMPOUND AND USE THEREOF 广州智药生物科技有限公司 2023-11-16 WO disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
CN-113651766-A Isoxazole sulfonamide compound with BRD4 inhibitory activity and preparation method and application thereof 泰州职业技术学院 2021-11-16 CN disclosed
CN-110003176-A Benzimidazoles compound and its application containing amide 沈阳药科大学 2019-07-12 CN disclosed
CN-105085427-A Benzo [ d ] isoxazole compound and application thereof GUANGZHOU INST BIOMED & HEALTH 2015-11-25 CN disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
EP-0107780-B1 FLUORAN COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1987-11-04 EP disclosed
US-4600797-A NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
US-4594601-A Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0107780-A2 Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1984-05-09 EP disclosed
EP-0049711-B1 PROCESS FOR THE PRODUCTION OF NITRO-AMINO-BENZENES BAYER AG (DE) 1984-02-29 EP disclosed
EP-0055218-A2 Manufacture of azoic compounds CIBA-GEIGY AG (CH) 1982-06-30 EP disclosed
EP-0049711-A1 Process for the production of nitro-amino-benzenes BAYER AG (DE) 1982-04-21 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 (3 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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HSD17B1 3843/4885HSD17B2 4372/4885ALDH1A1 4846/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HSD17B1 1375/4885HSD17B2 1297/4885ALDH1A1 734/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 HSD17B1 4283/4885HSD17B2 4233/4885ALDH1A1 651/4885

“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.