SCHEMBL633199

SCHEMBL633199

[c]1nnnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOA P21397 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5546721 0.78 NOTUM (0.38) NOTUMALDH1A1KDM4EMAPTHTT
SCHEMBL9625933 0.78 MAPT (0.42) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL8879382 0.78 MAPT (0.46) ALDH1A1HPGDKDM4EMAOAMAPT
SCHEMBL7306890 0.78 CHRNB2 (0.42) ALDH1A1HTTNPC1L3MBTL1
SCHEMBL5120604 0.77 NOTUM (0.45) NOTUMALDH1A1MAPTHTTSIGMAR1
SCHEMBL8625261 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL5089483 0.72 CYP11B1 (0.47) ALDH1A1MAPTNPSR1NPC1CYP1A2
SCHEMBL5128093 0.71 BCHE (0.38) NOTUMALDH1A1KDM4EHTTMEN1
SCHEMBL4473341 0.71 MGLL (0.37) ALDH1A1MAPTNPC1MAPK1
SCHEMBL5119689 0.66 CYP19A1 (0.38) NOTUMALDH1A1MAPTHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027085-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-05-14 CN claimed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US claimed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US claimed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP claimed
WO-2016125086-A1 PROCESSES FOR THE PREPARATION OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2016-08-11 WO claimed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP claimed
EP-2334640-B1 METHODS FOR PRODUCING PARICALCITOL AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2015-12-23 EP claimed
US-9212136-B2 Methods for producing paricalcitol AZAD PHARMACEUTICALS INGREDIENTS AG (CH) 2015-12-15 US claimed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US claimed
US-9126975-B2 Process for the preparation of statins in the presence of base DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-09-08 US claimed
EP-0026519-B1 PHOTOGRAPHIC SILVER HALIDE EMULSION MATERIAL CONTAINING AN ANTIFOGGANT PRECURSOR AGFA-GEVAERT N.V. (BE) 1983-08-17 EP claimed
US-4385178-A REACTION OF A CEPHALOSPORANIC ACID WITH A THIOL COMPOUND IN THE PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1983-05-24 US claimed
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US claimed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 US claimed
EP-0005153-B1 4-NITRO-2-TRICHLOROMETHYLPHENYL DISULFIDES, PROCESS FOR THEIR PREPARATION, MEANS CONTAINING THEM AS ACTIVE INGREDIENT AND USE AGAINST MICROORGANISMS BASF Aktiengesellschaft (DE) 1982-01-27 EP claimed
US-4307175-A Photographic silver halide emulsion material containing an antifoggant precursor AGFA-GEVAERT, N.V. (BE) 1981-12-22 US claimed
EP-0026519-A1 Photographic silver halide emulsion material containing an antifoggant precursor AGFA-GEVAERT N.V. (BE) 1981-04-08 EP claimed
US-4125611-A MICROBIOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-11-14 US claimed
US-4052213-A OXAZOLINONE-2-COMPOUNDS CONTAINING A MERCAPTO GROUP AGFA-GEVAERT, A.G. (DT) 1977-10-04 US claimed
US-4046574-A COLOR PHOTOGRAPHIC MATERIAL WITH HOMOPHTHALIMIDE THIOETHER DEVELOPMENT INHIBITOR AGFA-GEVAERT, AKTIENGESELLSCHAFT (DT) 1977-09-06 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 (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-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 NOTUM 61/4885ALDH1A1 1113/4885HPGD 1461/4885

“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.