SCHEMBL16995659

SCHEMBL16995659

CCOc1cc(C)ccc1Oc1ccccc1CNc1nc(N)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.54
GAA P10253 3/20 0.46
KDM1A O60341 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
SMOX Q9NWM0 1/20 0.39
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL18353776 0.90 MAOA (0.51) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL16995652 0.85 KDM1A (0.44) MAOAKDM1ARCOR1SMOXMAPT
SCHEMBL16995687 0.76 KDM1A (0.50) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL16995657 0.74 GAA (0.57) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL18353609 0.67 KDM1A (0.53) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL25204041 0.65 SMN1; SMN2 (0.59) HSD17B10MEN1ALDH1A1RECQLKMT2A
SCHEMBL18353767 0.64 GAA (0.58) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL16995707 0.64 GAA (1.00) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL29904208 0.64 GAA (1.00) MAOAGAAKDM1AHSD17B10RCOR1
SCHEMBL16118592 0.64 MAPT (0.53) SLC6A4SLC6A2SLC6A3MAPTATM

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 MAOA 352/4885GAA 3448/4885KDM1A 1/4885

“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.