SCHEMBL560847

SCHEMBL560847

NN1C=Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
PARP1 P09874 1/20 0.36
HSD17B3 P37058 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
IDO1 P14902 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
Iodide SCHEMBL7041116 0.98 HDAC3 (0.37) HDAC3PARP1HSD17B3CA1CA2
Hydrochloric Acid SCHEMBL23501064 0.98 PARP1 (0.39) HDAC3PARP1HSD17B3CA1CA2
Hydrochloric Acid SCHEMBL4419624 0.98 PARP1 (0.39) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL3069885 0.77 HDAC3 (0.43) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL4854749 0.74 HDAC3 (0.41) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL13932579 0.74 HDAC3 (0.38) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL29612167 0.74 HDAC3 (0.41) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL143063 0.74 HDAC3 (0.38) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL1564351 0.74 HDAC3 (0.41) HDAC3PARP1HSD17B3CA1CA2
SCHEMBL11353696 0.74 HDAC3 (0.38) HDAC3PARP1HSD17B3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116355614-A Etching composition 安集微电子科技(上海)股份有限公司 2023-06-30 CN claimed
CN-115210339-A Etching solution for titanium nitride and molybdenum conductive metal wires 弗萨姆材料美国有限责任公司 2022-10-18 CN claimed
CN-108925135-A Synthetic method for preparing (S) - (2R,3R,11bR) -3-isobutyl-9, 10-dimethoxy-2, 3,4,6,7,11 b-hexahydro-1H-pyrido [2,1-a ] isoquinolin-2-yl-2-amino-3-methylbutyrate bis (4-methylbenzenesulfonate) 纽罗克里生物科学有限公司 2018-11-30 CN claimed
CN-107921032-A Inhibitors of VMAT2 for use in treating neurological diseases or disorders 纽罗克里生物科学有限公司 2018-04-17 CN claimed
EP-1638970-A1 PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
EP-1638968-A1 HEXAHYDROPYRIDOISOQINOLINES AS DPP-IV INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000846-A1 HEXAHYDROPYRIDOISOQINOLINES AS DPP-IV INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
WO-2005000848-A1 PYRIDO` 2, 1-A - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
EP-1461337-A1 PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-29 EP claimed
WO-2003055881-A1 PYRIDO(2,1-A)ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-10 WO claimed
CN-1035057-C Method of preventing polymer scale formation SHINETSU CHEMICAL CO (JP) 1997-06-04 CN claimed
EP-0355575-B1 Method of preventing polymer scale formation SHINETSU CHEMICAL CO (JP) 1994-11-02 EP claimed
EP-0324184-B1 2-Amino-1,2,3,4-tetrahydroisoquinoline derivatives, method for their preparation and their use as medicines CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-09-28 EP claimed
US-5298220-A Forming a coating of a solution containing anioic and cationic dyes and water insoluble organonitrogen compound, drying SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-03-29 US claimed
US-5196164-A During addition polymerization, wall coating of anionic dye and cationic dye and organonitrogen compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-03-23 US claimed
CN-1040206-A Prevent to form the method for polymer scale formation SHINETSU CHEMICAL CO (JP) 1990-03-07 CN claimed
EP-0324184-A2 2-Amino-1,2,3,4-tetrahydroisoquinoline derivatives, method for their preparation and their use as medicines CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-07-19 EP claimed
US-20250206718-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-06-26 US disclosed
EP-0355575-A2 Method of preventing polymer scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1990-02-28 EP disclosed
US-3846412-A DIHYDRO-2-AMINO-ISOQUINOLINES AND THEIR DERIVATIVES LEPETIT SPA 1974-11-05 US 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 (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-20250206718-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, EGFR, WEE2 HDAC3 4579/4885PARP1 3221/4885HSD17B3 2377/4885

“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.