SCHEMBL16995658

SCHEMBL16995658

Nc1nnc(NCc2c(Cl)cccc2Oc2ccc(Br)cc2Br)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
RCOR1 Q9UKL0 3/20 0.43
SMOX Q9NWM0 2/20 0.42
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MC4R P32245 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
NPC1 O15118 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
SCHEMBL18353618 0.87 MAPK1 (0.38) KDM1ARCOR1SMOXMAPK1ALDH1A1
SCHEMBL16995665 0.87 MAOA (0.51) KDM1ARCOR1SMOXMAOAMC4R
SCHEMBL16995666 0.80 KDM1A (0.48) KDM1ARCOR1SMOXTSHRSMN1; SMN2
SCHEMBL16995714 0.80 KDM1A (0.64) KDM1ARCOR1SMOXALDH1A1TDP1
SCHEMBL16995673 0.79 L3MBTL1 (0.42) KDM1ARCOR1SMOXMAPK1ALDH1A1
SCHEMBL16995675 0.79 KDM1A (0.45) KDM1ARCOR1SMOXL3MBTL1TSHR
SCHEMBL16995671 0.78 KDM1A (0.48) KDM1ARCOR1SMOXALDH1A1L3MBTL1
SCHEMBL16995661 0.78 KDM1A (0.48) KDM1ARCOR1SMOXALDH1A1LMNA
SCHEMBL16995681 0.77 KDM1A (0.50) KDM1ARCOR1SMOXALDH1A1SMN1; SMN2
SCHEMBL16995691 0.77 KDM1A (0.52) KDM1ARCOR1SMOXALDH1A1L3MBTL1

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.