SCHEMBL514305

SCHEMBL514305

O=[C]Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.50
NPC1 O15118 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PSIP1 O75475 1/20 0.44
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
CXCL8 P10145 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2090485 0.82 CES2 (0.39) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL11463688 0.82 L3MBTL1 (0.37) RAB9ANPC1SMN1; SMN2HTTGAA
SCHEMBL2092482 0.79 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL6870517 0.77 GAA (0.47) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL3166134 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL3184890 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL5637945 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2PSIP1HTT
SCHEMBL423086 0.73 KMT2A (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2096174 0.73 HTT (0.46) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL1759059 0.73 MAPT (0.39) RAB9ANPC1SMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721531-B Novel liposome kinase inhibitor 中国科学院合肥物质科学研究院 2022-07-29 CN claimed
WO-2020147097-A1 NOVEL LIPOSOME KINASE INHIBITOR 中国科学院合肥物质科学研究院 2020-07-23 WO claimed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US claimed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP claimed
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 EP claimed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
US-20050227974-A9 Aminoalkyl-substituted aryl compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2005-10-13 US claimed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US claimed
EP-1525194-A1 AMINOALKYL-SUBSTITUTED ARYL COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-04-27 EP claimed
US-20040116415-A1 Aminoalkyl-substituted aryl compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-06-17 US claimed
WO-2004013114-A1 AMINOALKYL-SUBSTITUTED ARYL COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-12 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
US-4975409-A Ketone imine dyes; colorfastness; copies FUJI PHOTO FILM CO., LTD. (JP) 1990-12-04 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 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 (3 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-20050227974-A9 Aminoalkyl-substituted aryl compounds and their use as sodium channel blockers KCNN3, CACNA1S, CACNA1C RAB9A 3212/4885NPC1 1139/4885SMN1; SMN2 107/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 RAB9A 3907/4885NPC1 4248/4885SMN1; SMN2 4036/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B RAB9A 4005/4885NPC1 2178/4885SMN1; SMN2 1856/4885

“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.