SCHEMBL301628

SCHEMBL301628

[c]1cccc2c1-c1ccccc1CN2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.36
HTR5A P47898 2/20 0.35
HSD17B3 P37058 1/20 0.33
PARP1 P09874 2/20 0.32
PLAU P00749 1/20 0.32
PDPK1 O15530 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
TYRO3 Q06418 1/20 0.30
NTRK2 Q16620 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
NOS2 P35228 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
SCHEMBL6293496 0.78 CA12 (0.38) CA12CA9
Dihydrophenanthridine SCHEMBL2087461 0.74 CA12 (0.56) CA12CA9ALOX15HSD17B10GAA
Dihydrophenanthridine SCHEMBL29791568 0.74 CA12 (0.56) CA12CA9ALOX15HSD17B10GAA
SCHEMBL27425414 0.72 CA12 (0.54) CA12CA9ALOX15HSD17B10GAA
SCHEMBL8925185 0.71 ALOX15 (0.58) CA12CA9ALOX15HSD17B10GAA
SCHEMBL23194 0.71 MAOA (0.46) HSD17B10CLK4DYRK1B
SCHEMBL30668800 0.69
SCHEMBL2041999 0.69
SCHEMBL1828551 0.69
SCHEMBL21665091 0.68 CA12 (0.48) CA12CA9ALOX15HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
JP-4764833-B2 2011-09-07 JP claimed
EP-1735270-B1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-30 EP claimed
US-7718675-B2 Diamino alcohols and their use as renin inhibitor SPEEDEL EXPERIMENTA AG (CH) 2010-05-18 US claimed
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis SPEEDEL EXPERIMENTA AG (CH) 2007-07-12 US claimed
CN-1910141-A Diamino alcohols and their use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-02-07 CN claimed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP claimed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO claimed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN claimed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP claimed
EP-0134246-B1 PROSTACYCLINES AND PROCESS FOR THEIR PREPARATION TEIJIN LIMITED (JP) 1989-08-23 EP claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-0051284-B1 NOVEL THIAPROSTAGLANDIN E1 DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS TEIJIN LIMITED (JP) 1985-01-09 EP disclosed
US-4466980-A Thiaprostaglandin E1 derivatives, process for production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-08-21 US disclosed
EP-0113577-A1 Process for preparing prostacyclins TEIJIN LIMITED (JP) 1984-07-18 EP disclosed
EP-0051284-A1 Novel thiaprostaglandin E1 derivatives, process for production thereof, and pharmaceuticals containing these compounds TEIJIN LIMITED (JP) 1982-05-12 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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 CA12 1101/4885CA9 392/4885ALOX15 699/4885
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis REN, AGTR1, AGTR2 CA12 4877/4885CA9 4780/4885ALOX15 1797/4885

“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.