SCHEMBL16995657

SCHEMBL16995657

COc1cc(Oc2ccccc2CNc2nc(N)n[nH]2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
KDM1A O60341 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
MAOA P21397 8/20 0.52
SMOX Q9NWM0 1/20 0.45
DHFR P00374 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
EGFR P00533 3/20 0.40
KDR P35968 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18353767 0.88 GAA (0.58) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL16995654 0.84 KDM1A (0.50) GAAKDM1AHSD17B10RCOR1SMOX
SCHEMBL16995687 0.76 KDM1A (0.50) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL16995659 0.74 MAOA (0.54) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL29904208 0.73 GAA (1.00) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL16995707 0.73 GAA (1.00) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL18353484 0.72 KDM1A (0.46) GAAKDM1AHSD17B10RCOR1SMOX
SCHEMBL16995655 0.70 KDM1A (0.50) GAAKDM1AHSD17B10RCOR1SMOX
SCHEMBL16995649 0.67 KDM1A (0.72) GAAKDM1AHSD17B10RCOR1MAOA
SCHEMBL25204041 0.67 SMN1; SMN2 (0.59) HSD17B10KDM4EPOLBALDH1A1MEN1

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 GAA 3448/4885KDM1A 1/4885HSD17B10 630/4885

“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.