SCHEMBL18353773

SCHEMBL18353773

Cc1n[nH]c(NCc2c(Cl)cccc2Oc2ccc3ccccc3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.66
RCOR1 Q9UKL0 4/20 0.66
SMOX Q9NWM0 2/20 0.50
MAOA P21397 1/20 0.45
ENPP3 O14638 1/20 0.40
ALPL P05186 1/20 0.40
ENPP1 P22413 1/20 0.40
XIAP P98170 1/20 0.40
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PARG Q86W56 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL16995649 0.87 KDM1A (0.72) KDM1ARCOR1SMOXMAOAGAA
SCHEMBL18353510 0.87 SMOX (0.66) KDM1ARCOR1SMOXMAOAGAA
SCHEMBL18353620 0.87 KDM1A (0.52) KDM1ARCOR1SMOXMAOAGAA
SCHEMBL18353607 0.84 KDM1A (0.64) KDM1ARCOR1SMOXGAAHSD17B10
SCHEMBL18353484 0.83 KDM1A (0.46) KDM1ARCOR1SMOXGAAHSD17B10
SCHEMBL18353486 0.83 KDM1A (0.49) KDM1ARCOR1SMOXGAAHSD17B10
SCHEMBL18353782 0.80 KDM1A (0.45) KDM1ARCOR1SMOXGAAHSD17B10
SCHEMBL18353619 0.77 MAPT (0.41) KDM1ARCOR1SMOXMAOAMAPT
SCHEMBL16995667 0.74 SMOX (0.72) KDM1ARCOR1SMOXMAOAGAA
SCHEMBL16995650 0.73 KDM1A (0.57) KDM1ARCOR1SMOXMAOAMAPT

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 1 patent. 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

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.