SCHEMBL10105332

SCHEMBL10105332

CN(/N=C\c1cc[n+](C)c2ccccc12)c1ccc(N2CCCC2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ BLM P54132 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAD52 P43351 2/20 0.38
▸ CHAT P28329 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL483512 1.00 HTT (0.39) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL483510 1.00 HTT (0.39) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL12297129 0.81 RAD52 (0.46) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL12296932 0.81 ACHE (0.42) HTTSMN1; SMN2KDM4ECHATAR
SCHEMBL12297113 0.81 AR (0.34) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL12297068 0.80 AR (0.39) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL483835 0.80 ACHE (0.39) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL483837 0.80 ACHE (0.39) HTTSMN1; SMN2NPSR1MEN1NPC1
SCHEMBL14386544 0.79 AR (0.35) HTTRAB9AKDM4EARCTSB
SCHEMBL14386540 0.79 AR (0.36) ARCTSB

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 4 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-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
WO-2007125238-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'ORÉAL (FR) 2007-11-08 — — 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-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 HTT 663/4885SMN1; SMN2 4819/4885NPSR1 3423/4885

“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.

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