SCHEMBL15037579

SCHEMBL15037579

C[N+](C)(C)CCN1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ROCK1 Q13464 1/20 0.42
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
RORC P51449 3/20 0.38
DRD2 P14416 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ADRA2A P08913 1/20 0.37
PNMT P11086 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
SCHEMBL12334039 0.92 ROCK1 (0.46) MAPTSMN1; SMN2ROCK1NPC1MAPK1
SCHEMBL16267295 0.89 RORC (0.41) MAPTSMN1; SMN2ROCK1L3MBTL1ALDH1A1
SCHEMBL16274458 0.86 ALDH1A1 (0.54) MAPTSMN1; SMN2ROCK1L3MBTL1ALDH1A1
SCHEMBL2458432 0.84 MAPT (0.44) MAPTSMN1; SMN2ROCK1NPC1MAPK1
SCHEMBL2675480 0.84 MAPT (0.48) MAPTSMN1; SMN2ROCK1L3MBTL1ALDH1A1
SCHEMBL15016540 0.82 HTR7 (0.51) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4429154 0.82 REN (0.43) MAPTSMN1; SMN2ROCK1NPC1MAPK1
SCHEMBL23455373 0.81 MAPT (0.60) MAPTSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL30073954 0.80 MAPT (0.49) MAPTSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL23455339 0.80 MAPT (0.49) MAPTSMN1; SMN2NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9107848-B2 Coupler with cationic 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2015-08-18 US disclosed
US-20140352713-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2014-12-04 US disclosed
WO-2013087931-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2013-06-20 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-20140352713-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, PRMT7, ARGLU1 MAPT 946/4885SMN1; SMN2 4633/4885ROCK1 1042/4885

“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.