SCHEMBL16995674

SCHEMBL16995674

Fc1ccc(COc2ccc(Cl)cc2CNc2nc[nH]n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
STAT3 P40763 2/20 0.54
HTT P42858 1/20 0.51
PTGER1 P34995 3/20 0.51
TP53 P04637 2/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL18353625 0.88 STAT3 (0.54) SMN1; SMN2ALDH1A1LMNASTAT3PTGER1
SCHEMBL16995662 0.83 FNTA (0.65) SMN1; SMN2ALDH1A1LMNAHTTPTGER1
SCHEMBL14775776 0.74 PTGER1 (0.55) SMN1; SMN2ALDH1A1LMNASTAT3PTGER1
SCHEMBL11887862 0.73 VNN1 (0.51) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL16995668 0.73 MAPT (0.49) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL16995676 0.73 HTT (0.57) SMN1; SMN2ALDH1A1LMNASTAT3HTT
SCHEMBL5699784 0.72 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNASTAT3PTGER1
SCHEMBL16995692 0.72 HTT (0.63) SMN1; SMN2ALDH1A1LMNASTAT3HTT
SCHEMBL30933759 0.71 SLC6A4 (0.61) SMN1; SMN2ALDH1A1LMNASTAT3PTGER1
SCHEMBL18353487 0.71 HDAC1 (0.55) SMN1; SMN2ALDH1A1SLC6A4SLC6A2CYP1A2

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 SMN1; SMN2 3412/4885ALDH1A1 198/4885LMNA 3528/4885

“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.