SCHEMBL16995692

SCHEMBL16995692

Clc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
STAT3 P40763 2/20 0.54
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
PTGER1 P34995 6/20 0.46
APP P05067 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL16995676 0.89 HTT (0.57) HTTSTAT3KMT2AKDM4EMEN1
SCHEMBL16995704 0.83 POLB (0.57) HTTSTAT3LMNAALDH1A1MAPT
SCHEMBL16995705 0.80 ALDH1A1 (0.52) HTTSTAT3KMT2AKDM4EMEN1
SCHEMBL4720836 0.72 PTGER1 (0.56) STAT3PTGER1
SCHEMBL31252512 0.72 ALDH1A1 (0.72) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL18353625 0.72 STAT3 (0.54) STAT3LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL16995674 0.72 SMN1; SMN2 (0.58) HTTSTAT3KMT2AMEN1LMNA
SCHEMBL1196687 0.71 CCR5 (0.64) STAT3KMT2APTGER1MRGPRX4
SCHEMBL562155 0.71 PTGER1 (0.55) STAT3PTGER1
SCHEMBL2954443 0.71 MAPT (0.60) MAPTPTGER1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 US disclosed
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 US disclosed
WO-2015120281-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-08-13 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 (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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS KDM1A, KDM1B, KDM3A HTT 2651/4885STAT3 991/4885KMT2A 16/4885

“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.