SCHEMBL11061862

SCHEMBL11061862

CCOc1cc(N(CC)CC)ccc1[N+]#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
TERT O14746 1/20 0.39
MAPT P10636 8/20 0.38
LMNA P02545 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S100B P04271 1/20 0.38
MAPK1 P28482 3/20 0.37
HTT P42858 4/20 0.36
CYP3A4 P08684 2/20 0.35
GFER P55789 2/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 3/20 0.34

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
Hydrochloric Acid SCHEMBL11878436 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL10937632 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL10816468 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL11872248 0.94 ALDH1A1 (0.38) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL10603287 0.93 ALDH1A1 (0.40) ALDH1A1L3MBTL1TERTMAPTLMNA
Trifluoromethanesulfonic Acid SCHEMBL11067622 0.88 HTT (0.38) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL3316223 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL9860054 0.84 CNR2 (0.40) L3MBTL1MAPTMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL10583282 0.84 PDE4A (0.38) ALDH1A1L3MBTL1TERTMAPTLMNA
SCHEMBL10837346 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1TERTMAPTLMNA

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-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
WO-2007122341-A2 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC HYDRAZONE COMPOUNDS CONTAINING A 2-(BENZ)IMIDAZOLIUM UNIT, THEIR SYNTHESIS, DYEING COMPOSITIONS COMPRISING THEM, METHOD OF DYEING KERATIN FIBRES L'ORÉAL (FR) 2007-11-01 WO disclosed
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed
US-4334005-A Transition metal photoreduction systems and processes EASTMAN KODAK COMPANY (US) 1982-06-08 US disclosed
US-4314019-A NONSILVER PHOTOGRAPHY; COBALT AMMINE COMPLEXES) QUINONE REDUCING AGENTS EASTMAN KODAK COMPANY (US) 1982-02-02 US disclosed
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed
US-4148646-A FOR MAKING DUPLICATES OF X-RAY FILMS TRANS WORLD TECHNOLOGY LABORATORIES, INC. (US) 1979-04-10 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 ALDH1A1 1335/4885L3MBTL1 4650/4885TERT 221/4885

“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.