SCHEMBL16995667

SCHEMBL16995667

Nc1n[nH]c(NCc2c(Cl)cccc2Oc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMOX Q9NWM0 3/20 0.72
KDM1A O60341 4/20 0.61
RCOR1 Q9UKL0 3/20 0.61
MAOA P21397 4/20 0.50
DPP4 P27487 1/20 0.43
LCK P06239 3/20 0.42
BTK Q06187 3/20 0.42
MAPK14 Q16539 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
GAA P10253 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
SCHEMBL16995650 0.89 KDM1A (0.57) SMOXKDM1ARCOR1MAOADPP4
SCHEMBL18353510 0.87 SMOX (0.66) SMOXKDM1ARCOR1MAOADPP4
SCHEMBL16995649 0.87 KDM1A (0.72) SMOXKDM1ARCOR1MAOADPP4
SCHEMBL16995651 0.82 KDM1A (0.71) SMOXKDM1ARCOR1DPP4LCK
SCHEMBL16995655 0.82 KDM1A (0.50) SMOXKDM1ARCOR1LCKBTK
SCHEMBL16995654 0.80 KDM1A (0.50) SMOXKDM1ARCOR1LCKBTK
SCHEMBL16995653 0.77 KDM1A (0.50) SMOXKDM1ARCOR1LCKBTK
SCHEMBL18353620 0.76 KDM1A (0.52) SMOXKDM1ARCOR1MAOALCK
SCHEMBL18353773 0.74 KDM1A (0.66) SMOXKDM1ARCOR1MAOALCK
SCHEMBL16995714 0.74 KDM1A (0.64) SMOXKDM1ARCOR1MAOADPP4

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

“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.