SCHEMBL16995665

SCHEMBL16995665

Nc1nnc(NCc2c(Cl)cccc2Oc2ccc(Br)cc2C(F)(F)F)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
KDM1A O60341 6/20 0.40
RCOR1 Q9UKL0 3/20 0.40
SMOX Q9NWM0 2/20 0.39
SERPINE1 P05121 1/20 0.32
LCK P06239 1/20 0.32
BTK Q06187 1/20 0.32
FABP4 P15090 1/20 0.31
MC4R P32245 2/20 0.31
EIF2AK1 Q9BQI3 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
ERBB3 P21860 1/20 0.30
ERBB4 Q15303 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL18353525 0.89 MAOA (0.44) MAOAKDM1ARCOR1SMOXSERPINE1
SCHEMBL16995658 0.87 KDM1A (0.43) MAOAKDM1ARCOR1SMOXLCK
SCHEMBL16995670 0.80 KDM1A (0.46) KDM1ARCOR1SMOXLCKBTK
SCHEMBL16995675 0.77 KDM1A (0.45) KDM1ARCOR1SMOXEIF2AK1
SCHEMBL16995660 0.77 KDM1A (0.49) MAOAKDM1ARCOR1SMOX
SCHEMBL16995666 0.76 KDM1A (0.48) KDM1ARCOR1SMOXEIF2AK1
SCHEMBL16995714 0.76 KDM1A (0.64) MAOAKDM1ARCOR1SMOXFABP4
SCHEMBL18359064 0.76 KDM1A (0.42) KDM1ARCOR1SMOXFABP4EGFR
SCHEMBL16995682 0.75 KDM1A (0.47) MAOAKDM1ARCOR1SMOXFABP4
SCHEMBL16995673 0.75 L3MBTL1 (0.42) KDM1ARCOR1SMOXLCKBTK

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.