SCHEMBL16274458

SCHEMBL16274458

CCCN1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMAD3 P84022 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ROCK1 Q13464 1/20 0.42
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14827764 0.92 GAA (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2675480 0.87 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15037579 0.86 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4429154 0.86 REN (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15016540 0.86 HTR7 (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL14121084 0.85 HRH3 (0.45) ALDH1A1MAPTGAALMNAL3MBTL1
SCHEMBL27675178 0.84 ROCK1 (0.44) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23455339 0.83 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL30073954 0.83 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4422195 0.83 GAA (0.40) ALDH1A1MEN1KMT2AMAPTGAA

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 2 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

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 ALDH1A1 157/4885MEN1 1703/4885KMT2A 815/4885

“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.