SCHEMBL64699

SCHEMBL64699

Nc1ccc(NCCN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.61
MAOB P27338 3/20 0.61
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LIN28A Q9H9Z2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PRMT1 Q99873 1/20 0.42
HRH1 P35367 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CXCR4 P61073 1/20 0.37
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL14393598 0.88 MAPT (0.66) MAOAMAOBMAPTSMN1; SMN2LIN28A
SCHEMBL21844998 0.86 SMN1; SMN2 (0.58) MAOAMAOBMAPTSMN1; SMN2LIN28A
SCHEMBL15372110 0.82 CYP2C19 (0.50) MAOAMAOBMAPTSMN1; SMN2LIN28A
SCHEMBL11890710 0.82 MAPT (0.50) MAOAMAOBMAPTSMN1; SMN2LIN28A
SCHEMBL4842263 0.80 MAOA (0.71) MAOAMAOBTDP1L3MBTL1NPC1
SCHEMBL14005755 0.80 MAPT (0.51) MAPTSMN1; SMN2LIN28ATDP1L3MBTL1
SCHEMBL21845051 0.80 RAB9A (0.53) MAPTSMN1; SMN2LIN28ATDP1L3MBTL1
SCHEMBL16805287 0.80 MAPT (0.54) MAOAMAOBMAPTSMN1; SMN2LIN28A
SCHEMBL16568175 0.79 SMN1; SMN2 (0.66) MAOAMAOBMAPTSMN1; SMN2LIN28A
Hydrochloric Acid SCHEMBL4843995 0.79 MAOA (0.69) MAOAMAOBTDP1L3MBTL1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
US-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
EP-2119456-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe Korea University Industrial & Academic Collaboration Foundation (KR) 2009-11-18 EP disclosed
US-RE40572-E1 Fluorescent probe for the quantitation of zinc SEKISUI MEDICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-RE40572-E1 Fluorescent probe for the quantitation of zinc SEKISUI MEDICAL CO., LTD. (JP) 2008-11-11 US 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 (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-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 MAOA 3523/4885MAOB 2505/4885MAPT 3270/4885

“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.