SCHEMBL13509920

SCHEMBL13509920

[N-]=[N+]=NCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CHRM2 P08172 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GLS O94925 1/20 0.49

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
SCHEMBL29707271 1.00 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL16068174 0.95 TDP1 (0.53) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL30041074 0.95 TDP1 (0.53) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL13884659 0.93 TDP1 (0.55) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL20595306 0.93 TDP1 (0.55) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL17872139 0.93 TDP1 (0.55) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL30999497 0.89 GLS (0.52) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL13754582 0.89 GLS (0.52) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL14499669 0.81 HPGD (0.50) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL12890373 0.80 TDP1 (0.54) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671816-B Preparation method of axial chiral aryl triazole compound 浙江大学 2023-11-17 — — CN disclosed
US-20220324770-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2022-10-13 — — US disclosed
EP-4025564-A1 NITRIFICATION INHIBITORS The University of Melbourne (AU) 2022-07-13 — — EP disclosed
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 — — CN disclosed
WO-2021042169-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2021-03-11 — — WO disclosed
EP-2630494-B1 METHOD FOR FUNCTIONALISING SURFACES FOR ANALYTE DETECTION CENTRE NAT RECH SCIENT (FR) 2020-03-18 — — EP disclosed
EP-2630494-B1 METHOD FOR FUNCTIONALISING SURFACES FOR ANALYTE DETECTION CENTRE NAT RECH SCIENT (FR) 2020-03-18 — — EP disclosed
US-9671397-B2 Method for functionalizing surfaces for analyte detection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-06 — — US disclosed
US-9671397-B2 Method for functionalizing surfaces for analyte detection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-06 — — US disclosed
US-9671397-B2 Method for functionalizing surfaces for analyte detection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-06 — — US disclosed
US-20130203629-A1 METHOD FOR FUNCTIONALIZING SURFACES FOR ANALYTE DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-08-08 — — US disclosed
US-20130203629-A1 METHOD FOR FUNCTIONALIZING SURFACES FOR ANALYTE DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-08-08 — — US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 — — US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 — — US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 — — US disclosed
WO-2012052874-A1 METHOD FOR FUNCTIONALISING SURFACES FOR ANALYTE DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-04-26 — — WO disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 — — US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 — — US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 — — WO 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-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 ALDH1A1 2030/4885TDP1 4048/4885L3MBTL1 4136/4885
US-20220324770-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NIT2 ALDH1A1 1527/4885TDP1 1350/4885L3MBTL1 4645/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 ALDH1A1 2030/4885TDP1 4048/4885L3MBTL1 4136/4885

“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.

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