SCHEMBL83267

SCHEMBL83267

NC(=O)C=Cc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
MAPT P10636 2/20 0.73
KDM4E B2RXH2 2/20 0.73
NPC1 O15118 2/20 0.73
JUN P05412 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
GPR55 Q9Y2T6 1/20 0.73
PFKFB3 Q16875 1/20 0.63
KMT2A Q03164 1/20 0.59
CYP1A1 P04798 9/20 0.56
CYP1A2 P05177 9/20 0.56
CYP1B1 Q16678 9/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
USP2 O75604 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55

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
SCHEMBL83322 1.00 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL82827 0.88 RAB9A (0.62) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598852 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598850 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
Methyl Benzoate SCHEMBL30968567 0.83 ALDH1A1 (0.56) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334614 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL29416684 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971079 0.83 MAPT (0.96) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334615 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL755249 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239885-A Synthesis method of cidamine 常州合全药业有限公司 2024-06-25 CN claimed
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO claimed
EP-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 EP claimed
WO-2023030170-A1 PROTEIN DEGRADATION COMPOUND BASED ON NAMPT TARGET PROTEIN AND APPLICATION THEREOF 标新生物医药科技(上海)有限公司 2023-03-09 WO claimed
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 CN claimed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO claimed
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 US claimed
EP-3856735-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS New York University (US) 2021-08-04 EP claimed
WO-2020073031-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS NEW YORK UNIVERSITY (US) 2020-04-09 WO claimed
EP-3555078-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP claimed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP claimed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 WO claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO 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-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT RAB9A 966/4885MAPT 561/4885KDM4E 3102/4885

“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.