SCHEMBL16995709

SCHEMBL16995709

COc1cccc(CNc2nn[nH]n2)c1OCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
HTT P42858 2/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51
ALOX12 P18054 1/20 0.51
BLM P54132 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
STAT3 P40763 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL16995684 0.89 HTT (0.52) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL16995669 0.85 L3MBTL1 (0.62) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL16995715 0.80 L3MBTL1 (0.56) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL16995713 0.72 L3MBTL1 (0.46) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL16995705 0.70 ALDH1A1 (0.52) L3MBTL1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL16995692 0.65 HTT (0.63) L3MBTL1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL12432412 0.65 HTR1A (0.54) L3MBTL1HTTALDH1A1GAAMAPT
SCHEMBL16995685 0.65 HDAC3 (0.51) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL28654591 0.64 MEN1 (0.70) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL9359443 0.63 CD38 (0.49) L3MBTL1ALDH1A1TP53MAPTHTR1A

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 L3MBTL1 2750/4885HTT 2651/4885ALDH1A1 198/4885

“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.