SCHEMBL1027774

SCHEMBL1027774

O=C(Cl)c1ccncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDM4C Q9H3R0 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GLA P06280 1/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39

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 SCHEMBL2841145 0.98 GAA (0.43) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL116912 0.83 KDM4C (0.59) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL30933589 0.83 KDM4C (0.59) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL587010 0.83 ROCK2 (0.58) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL30465597 0.83 ROCK2 (0.58) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL2265522 0.82 KDM4C (0.47) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL826357 0.81 MKNK1 (0.58) GAAROCK2ROCK1KDM4CALDH1A1
Hydrochloric Acid SCHEMBL1027775 0.81 KDM4C (0.57) GAAROCK2ROCK1KDM4CALDH1A1
SCHEMBL1891569 0.81 ROCK2 (0.47) GAAROCK2ROCK1KDM4CALDH1A1
Hydrochloric Acid SCHEMBL2432397 0.81 ROCK2 (0.56) GAAROCK2ROCK1KDM4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
CN-118290434-A Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof 南开大学 2024-07-05 CN disclosed
CN-117964555-A Bisamide derivative containing phenyl ether bond, and preparation method and application thereof 南开大学 2024-05-03 CN disclosed
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN disclosed
CN-117903078-A Amide derivative containing 3, 4-dichloro isothiazole, preparation method and application thereof 南开大学 2024-04-19 CN disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
CN-117343077-A Isoindolinone morpholine derivative and preparation method and application thereof 南开大学 2024-01-05 CN disclosed
CN-117327081-A Isochromene-containing pyridone derivative, and preparation method and application thereof 南开大学 2024-01-02 CN disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
CN-1182140-C Pyridyl carbimide derivative of pyrimidyl thiobiazole with herbicidal activity and its prepn 上海师范大学 2004-12-29 CN disclosed
CN-1453281-A Pyridyl carbimide derivative of pyrimidyl thiobiazole with herbicidal activity and its prepn UNIV SHANGHAI (CN) 2003-11-05 CN disclosed
EP-0059948-B1 NOVEL AROYLIMIDAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-13 EP disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 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 (2 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-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 GAA 3989/4885ROCK2 1409/4885ROCK1 1216/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL GAA 345/4885ROCK2 4451/4885ROCK1 4233/4885

“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.