SCHEMBL317984

SCHEMBL317984

[Zn].c1ccc(CNCc2ccccn2)nc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.68
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 3/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SCN8A Q9UQD0 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HRH1 P35367 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL18493706 1.00 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL29438821 0.98 CHRM2 (0.70) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL230222 0.98 CHRM2 (0.70) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL25211342 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Zinc Ion SCHEMBL30205248 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Zinc Ion SCHEMBL30442739 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Anthracene SCHEMBL5346466 0.90 CHRM2 (0.58) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL9777455 0.89 CHRM2 (0.61) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL5569292 0.89 L3MBTL1 (0.62) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3314110 0.89 L3MBTL1 (0.62) CHRM2MAOAMAOBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613435-A1 CHEMOKINE RECEPTOR CXCR4 INHIBITORS FOR TREATING AND/OR PREVENTING CHRONIC OBSTRUCTIVE PULMONARY DISEASE UNIVERSITE DE BORDEAUX (FR) 2020-02-26 EP claimed
US-9901616-B2 Apoptosis-targeting nanoparticles UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-02-27 US claimed
US-20140303081-A1 APOPTOSIS-TARGETING NANOPARTICLES University of Georgia Foundation, Inc. (US) 2014-10-09 US claimed
EP-2750662-A1 APOPTOSIS-TARGETING NANOPARTICLES University Of Georgia Research Foundation, Inc. (US) 2014-07-09 EP claimed
WO-2013033513-A1 APOPTOSIS-TARGETING NANOPARTICLES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-03-07 WO claimed
US-20240122922-A1 Methods Of Treating Cancer With Transmembrane Protein 16F (TMEM16F) Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-04-18 US disclosed
EP-4340835-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340896-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
WO-2023129086-A2 MICRON-SCALE BIOCOMPATIBLE MATERIALS THAT CAN BIND TO NEGATIVELY CHARGED BIOMEMBRANE BEARING SPECIES ORTA DOĞU TEKNİK ÜNİVERSİTESİ (TR) 2023-07-06 WO disclosed
WO-2023056302-A1 RADIOCONJUGATES TARGETING GRP78 FOR USE IN THE TREATMENT OF CANCER ACTINIUM PHARMACEUTICALS, INC. (US) 2023-04-06 WO disclosed
WO-2023028613-A2 RADIOIMMUNOCONJUGATES TARGETING PHOSPHATIDYLSERINE FOR USE IN THE TREATMENT OF CANCER ACTINIUM PHARMACEUTICALS, INC. (US) 2023-03-02 WO disclosed
EP-3044338-B1 METHODS FOR EVALUATING AND TREATING WALDENSTROM'S MACROGLOBULINEMIA DANA FARBER CANCER INST INC (US) 2021-11-24 EP disclosed
US-20090036416-A1 Novel CXCR4 Antagonist and Use Thereof KYOTO UNIVERSITY (JP) 2009-02-05 US disclosed
EP-1970062-A1 NOVEL CXCR4 ANTAGONIST AND USE THEREOF Kyoto University (JP) 2008-09-17 EP disclosed
EP-1970062-A1 NOVEL CXCR4 ANTAGONIST AND USE THEREOF Kyoto University (JP) 2008-09-17 EP disclosed
JP-2007176876-A NEW CXCR4 ANTAGONIST AND APPLICATION THEREOF KYOTO UNIV 2007-07-12 JP disclosed
WO-2007074871-A1 NOVEL CXCR4 ANTAGONIST AND USE THEREOF KYOTO UNIVERSITY (JP) 2007-07-05 WO disclosed
US-7179616-B1 Method for detecting phosphatidylserine on the surface of cells UNIVERSITY OF NOTRE DAME DU LAC (US) 2007-02-20 US disclosed
US-20050148086-A1 Fluorescent sensor for phosphate ion and phosphorylated peptide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-07 US disclosed
EP-1484614-A1 FLUORESCENT SENSOR FOR PHOSPHATE ION AND PHOSPHORYLATED PEPTIDE Japan Science and Technology Corporation (JP) 2004-12-08 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-20140303081-A1 APOPTOSIS-TARGETING NANOPARTICLES AIFM1, BAX, BCL2 CHRM2 4856/4885MAOA 4131/4885MAOB 4657/4885
US-20050148086-A1 Fluorescent sensor for phosphate ion and phosphorylated peptide ACP1, PTMS, SLC34A1 CHRM2 3424/4885MAOA 4144/4885MAOB 4310/4885
US-20090036416-A1 Novel CXCR4 Antagonist and Use Thereof CXCR4, CXCR1, CXCL12 CHRM2 1935/4885MAOA 4742/4885MAOB 4777/4885

“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.