SCHEMBL1065321

SCHEMBL1065321

Ic1ccc(NC/C=C/c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 2/20 0.39
PAM P19021 1/20 0.39
DHFR P00374 1/20 0.39
PRMT1 Q99873 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 4/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1065322 1.00 MAOB (0.44) MAOBKDM4EIDO1PAMDHFR
SCHEMBL10748019 0.87 MAOB (0.55) MAOBKDM4EIDO1PAMPRMT1
SCHEMBL6665965 0.87 MAOB (0.55) MAOBKDM4EIDO1PAMPRMT1
SCHEMBL29285201 0.84 KDM4E (0.45) MAOBKDM4EIDO1PAMDHFR
SCHEMBL29285202 0.84 KDM4E (0.45) MAOBKDM4EIDO1PAMDHFR
SCHEMBL28981265 0.82 EGFR (0.53) MAOBKDM4EDHFRRAB9AALDH1A1
SCHEMBL28981267 0.82 EGFR (0.53) MAOBKDM4EDHFRRAB9AALDH1A1
SCHEMBL20651287 0.82 NFE2L2 (0.53) MAOBKDM4ERAB9AHTR2AALDH1A1
SCHEMBL693125 0.82 MAOB (0.53) MAOBKDM4EIDO1PRMT1RAB9A
SCHEMBL11254209 0.78 KMT2A (0.54) MAOBKDM4EPAMRAB9AALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (3 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-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAOB 2499/4885KDM4E 123/4885IDO1 1325/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAOB 2499/4885KDM4E 123/4885IDO1 1325/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAOB 2499/4885KDM4E 123/4885IDO1 1325/4885

“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.