SCHEMBL10105308

SCHEMBL10105308

C/C(=N\Nc1ccc(I)cc1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
GAA P10253 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MAPT P10636 3/20 0.72
MEN1 O00255 3/20 0.72
RAB9A P51151 3/20 0.72
TDP1 Q9NUW8 2/20 0.72
ALOX12 P18054 2/20 0.72
ALDH1A1 P00352 1/20 0.72
GFER P55789 1/20 0.72
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
HTT P42858 2/20 0.53
PAX8 Q06710 2/20 0.53
TOP2A P11388 2/20 0.51
LMNA P02545 2/20 0.51
HSP90AA1 P07900 1/20 0.51
OPRK1 P41145 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOA P21397 2/20 0.50

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
SCHEMBL28153216 0.87 KMT2A (0.75) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL14540616 0.87 KMT2A (0.75) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL6715545 0.81 KMT2A (0.67) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL6715550 0.81 KMT2A (0.67) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL20101085 0.78 PAX8 (0.67) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL6715790 0.78 PAX8 (0.67) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL6715793 0.78 PAX8 (0.67) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL8228501 0.76 GAA (0.55) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL1001084 0.76 GAA (0.55) KMT2AGAASMN1; SMN2MAPTMEN1
SCHEMBL7595958 0.75 TOP2A (0.66) KMT2AGAASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010494-B1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES OREAL (FR) 2012-02-01 EP disclosed
US-8012220-B2 Specific monocationic monochromophoric compounds of hydrazone type comprising a 2-, 4-pyridinium or 2-, 4-quinolinium unit, synthesis thereof, dye compositions containing them, and method for dyeing keratin fibres L'OREAL S.A. (FR) 2011-09-06 US disclosed
US-8012220-B2 Specific monocationic monochromophoric compounds of hydrazone type comprising a 2-, 4-pyridinium or 2-, 4-quinolinium unit, synthesis thereof, dye compositions containing them, and method for dyeing keratin fibres L'OREAL S.A. (FR) 2011-09-06 US disclosed
US-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'OREAL S.A. (FR) 2009-12-10 US disclosed
US-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'OREAL S.A. (FR) 2009-12-10 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-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-5 KMT2A 732/4885GAA 4566/4885SMN1; SMN2 4819/4885

“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.