SCHEMBL16995666

SCHEMBL16995666

Cc1ccccc1Oc1cccc(Cl)c1CNc1nnc(N)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
RCOR1 Q9UKL0 3/20 0.48
SMOX Q9NWM0 2/20 0.47
EIF2AK1 Q9BQI3 5/20 0.37
ABL1 P00519 2/20 0.37
SRC P12931 2/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
AR P10275 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16995675 0.92 KDM1A (0.45) KDM1ARCOR1SMOXEIF2AK1ABL1
SCHEMBL18353509 0.88 KDM1A (0.42) KDM1ARCOR1SMOXEIF2AK1ABL1
SCHEMBL16995714 0.86 KDM1A (0.64) KDM1ARCOR1SMOXKMT2ADPP4
SCHEMBL16995691 0.85 KDM1A (0.52) KDM1ARCOR1SMOXKMT2ADPP4
SCHEMBL16995671 0.84 KDM1A (0.48) KDM1ARCOR1SMOXABL1SRC
SCHEMBL16995673 0.83 L3MBTL1 (0.42) KDM1ARCOR1SMOXEIF2AK1MEN1
SCHEMBL16995719 0.82 KDM1A (0.48) KDM1ARCOR1SMOXABL1SRC
SCHEMBL16995661 0.82 KDM1A (0.48) KDM1ARCOR1SMOXEIF2AK1ABL1
SCHEMBL16995693 0.81 MAOA (0.50) KDM1ARCOR1SMOXABL1SRC
SCHEMBL16995681 0.81 KDM1A (0.50) KDM1ARCOR1SMOXABL1SRC

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 2 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
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.