SCHEMBL16995652

SCHEMBL16995652

CCOc1cc(C)ccc1Oc1cccc(Cl)c1CNc1nc(N)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
RCOR1 Q9UKL0 3/20 0.44
SMOX Q9NWM0 2/20 0.43
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
MAOA P21397 1/20 0.39
LCK P06239 3/20 0.37
BTK Q06187 3/20 0.37
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
APP P05067 1/20 0.34
AGPAT2 O15120 2/20 0.34
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18353619 0.90 MAPT (0.41) KDM1ARCOR1SMOXMAPTRAB9A
SCHEMBL16995659 0.85 MAOA (0.54) KDM1ARCOR1SMOXMAPTRAB9A
SCHEMBL16995655 0.79 KDM1A (0.50) KDM1ARCOR1SMOXLCKBTK
SCHEMBL16995651 0.77 KDM1A (0.71) KDM1ARCOR1SMOXMAPTLCK
SCHEMBL16995649 0.76 KDM1A (0.72) KDM1ARCOR1SMOXMAPTMAOA
SCHEMBL16995654 0.75 KDM1A (0.50) KDM1ARCOR1SMOXLCKBTK
SCHEMBL16995650 0.75 KDM1A (0.57) KDM1ARCOR1SMOXMAPTL3MBTL1
SCHEMBL18353776 0.75 MAOA (0.51) KDM1ARCOR1MAPTRAB9AL3MBTL1
SCHEMBL16995653 0.75 KDM1A (0.50) KDM1ARCOR1SMOXLCKBTK
SCHEMBL16995667 0.74 SMOX (0.72) KDM1ARCOR1SMOXMAPTL3MBTL1

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 KDM1A 1/4885RCOR1 488/4885SMOX 41/4885

“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.