SCHEMBL16995693

SCHEMBL16995693

Cc1ccc(C(C)C)c(Oc2cccc(Cl)c2CNc2nnc(N)[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
KDM1A O60341 4/20 0.41
RCOR1 Q9UKL0 3/20 0.41
SMOX Q9NWM0 2/20 0.39
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL16995673 0.86 L3MBTL1 (0.42) KDM1ARCOR1SMOXNPSR1ALDH1A1
SCHEMBL16995691 0.82 KDM1A (0.52) MAOAKDM1ARCOR1SMOXALDH1A1
SCHEMBL16995671 0.81 KDM1A (0.48) MAOAKDM1ARCOR1SMOXNPSR1
SCHEMBL16995666 0.81 KDM1A (0.48) KDM1ARCOR1SMOXTSHRSMN1; SMN2
SCHEMBL16995675 0.80 KDM1A (0.45) KDM1ARCOR1SMOXTSHRMEN1
SCHEMBL16995661 0.77 KDM1A (0.48) KDM1ARCOR1SMOXALDH1A1KMT2A
SCHEMBL16995714 0.77 KDM1A (0.64) MAOAKDM1ARCOR1SMOXTDP1
SCHEMBL16995681 0.76 KDM1A (0.50) KDM1ARCOR1SMOXALDH1A1SMN1; SMN2
SCHEMBL16995658 0.76 KDM1A (0.43) MAOAKDM1ARCOR1SMOXTSHR
SCHEMBL18353508 0.76 L3MBTL1 (0.44) KDM1ARCOR1TSHRNPSR1ALDH1A1

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 MAOA 352/4885KDM1A 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.