SCHEMBL464780

SCHEMBL464780

O=C1Nc2ccccc2CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
PDK2 Q15119 1/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
NPC1 O15118 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 2/20 0.46
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
HK1 P19367 1/20 0.41
MAPK1 P28482 1/20 0.41

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
Hydrochloric Acid SCHEMBL10918416 0.98 AHR (0.48) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL30695792 0.85 CYP11B1 (0.44) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL8872240 0.82 MAOA (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL885250 0.80 NPC1 (0.55) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL4398875 0.80 KMT2A (0.39) AHRPDK2CYP11B1CYP11B2NPC1
Valeric Acid SCHEMBL5165826 0.80 ALDH1A1 (0.43) AHRPDK2CYP11B1CYP11B2MAPK1
Oxindole SCHEMBL11199955 0.78 AHR (0.70) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL2008333 0.77 ALOX5 (0.54) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3993853 0.75 MAPT (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL10061675 0.75 MAPT (0.41) AHRPDK2NPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP claimed
US-20240409531-A1 BENZOXAZINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2024-12-12 US claimed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN claimed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN claimed
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 CN claimed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 US claimed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US claimed
CN-110204506-B CO 2 Synthesis of 1,4-dihydro-2H-3,1-benzoxazine-2-one derivative as C1 source 常州大学 2022-10-28 CN claimed
EP-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP claimed
US-20220251095-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangxi Jemincare Group Co., Ltd. (CN) 2022-08-11 US claimed
CN-1179753-C Contraceptive compositions contaiing antiprogesting and progestinic 2004-12-15 CN claimed
WO-2004074273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO claimed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 US claimed
US-6194391-B1 CS-87 (TITLE COMPOUND) INDUCES A TRANSIENT MUTATION IN HIV-1 AT THE 70TH CODON OF THE REVERSE TRANSCRIPTASE REGION OF THE VIRUS; ADMINISTERING TO A HUMAN IN NEED OF THERAPY WITH A DRUG THAT INDUCES A MUTATION IN HIV-1 AT ANOTHER LOCATION EMORY UNIVERSITY 2001-02-27 US claimed
EP-0968197-A1 EFFICIENT SYNTHESIS OF A 1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE Merck & Co., Inc. (US) 2000-01-05 EP claimed
US-5922864-A ADDING AN ARYL CHLOROFORMATE TO A STIRRING MIXTURE OF AN AMINO ALCOHOL DERIVATIVE IN AN ORGANIC SOLVENT WITH A BASE TO PRODUCE CARBAMATE INTERMEDIATE, STIRRING, QUENCHING WITH WATER OR AQUEOUS BASE, STIRRING UNTIL CYCLIZATION, ISOLATING MERCK & CO., INC. (US) 1999-07-13 US claimed
WO-1998034928-A1 EFFICIENT SYNTHESIS OF A 1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE MERCK & CO., INC. (US) 1998-08-13 WO claimed
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US claimed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed
US-4301283-A BY TREATING A 2-CARBAMOYL-BENZYL ALCOHOL WITH A HYPOHALITE IN THE PRESENCE OF A PHASE TRANSFER CATALYST STERLING DRUG INC. (US) 1981-11-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20240409531-A1 BENZOXAZINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS NFATC1, ACIN1, GZMB AHR 1423/4885PDK2 998/4885CYP11B1 709/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC AHR 3076/4885PDK2 807/4885CYP11B1 449/4885
US-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 AHR 4020/4885PDK2 2190/4885CYP11B1 4345/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 AHR 2220/4885PDK2 1585/4885CYP11B1 111/4885
US-20220251095-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TFPI, TFPI2, F11 AHR 2220/4885PDK2 1585/4885CYP11B1 111/4885

“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.