SCHEMBL3316223

SCHEMBL3316223

CCN(CC)c1ccc([N+]#N)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 8/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TERT O14746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
S100B P04271 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FGFR1 P11362 1/20 0.37

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
SCHEMBL10837346 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL11061862 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTHTTLMNA
Hydrochloric Acid SCHEMBL11878436 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL10816468 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL10937632 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL4600735 0.81 NQO2 (0.41) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL11872248 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTHTTLMNA
Hydrochloric Acid SCHEMBL10586111 0.79 NQO2 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10603287 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL11199104 0.79 SLC16A3 (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 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-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 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
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-20010044553-A1 Novel compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2001-11-22 US disclosed
US-4828957-A Two-color heat-sensitive recording material with 2-hydroxy-3-naphthoanilide as both coupler and color developing agent KANZAKI PAPER MANUFACTURING COMPANY, LTD. (JP) 1989-05-09 US disclosed
US-4770973-A READABLE BY OPTICAL DEVICES AND FIXED BY LIGHT Kanzaki Paper Manufacturing Limited (JP) 1988-09-13 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-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 ALDH1A1 1335/4885L3MBTL1 4650/4885MAPT 2118/4885
US-20010044553-A1 Novel compound for color-producing composition, and recording material UROD, UMPS, UGT1A10 ALDH1A1 99/4885L3MBTL1 4561/4885MAPT 979/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 ALDH1A1 147/4885L3MBTL1 4638/4885MAPT 747/4885

“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.