SCHEMBL16995672

SCHEMBL16995672

Nc1nnc(NCc2c(Cl)cccc2Sc2ccccc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
LMNA P02545 4/20 0.40
GAA P10253 1/20 0.40
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
SMOX Q9NWM0 2/20 0.38
TYMS P04818 3/20 0.37
EGFR P00533 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
LCK P06239 1/20 0.33
BTK Q06187 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DHFR P00374 1/20 0.33
HPGD P15428 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
SCHEMBL18353481 0.86 LMNA (0.42) POLBLMNAGAAKDM1ARCOR1
SCHEMBL16995679 0.83 DHFR (0.43) LMNAGAAKDM1ARCOR1SMOX
SCHEMBL18353507 0.81 EIF2AK1 (0.37) POLBLMNAGAAKDM1ARCOR1
SCHEMBL16995717 0.81 EIF2AK1 (0.37) POLBLMNAGAAKDM1ARCOR1
SCHEMBL16995714 0.77 KDM1A (0.64) POLBLMNAGAAKDM1ARCOR1
SCHEMBL16995718 0.77 KDM1A (0.32) KDM1ARCOR1SMOXPIK3CAPIK3CB
SCHEMBL14869364 0.74 FABP4 (0.47) POLBLMNAGAAPIK3CAPIK3CB
SCHEMBL16995666 0.73 KDM1A (0.48) POLBLMNAKDM1ARCOR1SMOX
SCHEMBL16995690 0.73 KDM1A (0.50) POLBLMNAGAAKDM1ARCOR1
SCHEMBL18359066 0.71 KDM1A (0.48) POLBLMNAKDM1ARCOR1SMOX

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 3 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
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 POLB 1350/4885LMNA 3528/4885GAA 3448/4885

“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.