SCHEMBL15037577

SCHEMBL15037577

CC[N+](CC)(CC)CCN1CCCc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
REN P00797 8/20 0.39
CYP3A4 P08684 4/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
SMAD3 P84022 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 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
SCHEMBL12333830 0.92 HTR2A (0.41) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL15037588 0.91 BRD4 (0.40) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL15037586 0.88 KMT2A (0.43) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL15037580 0.86 BRD4 (0.43) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL16274465 0.84 KMT2A (0.60) KMT2AMEN1ALDH1A1BRD4ATAD2
Hydrochloric Acid SCHEMBL16267293 0.84 KMT2A (0.43) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL6683534 0.81 HRH3 (0.51) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL15037587 0.81 BRD4 (0.41) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL20544210 0.79 BRD4 (0.49) KMT2AMEN1ALDH1A1BRD4ATAD2
SCHEMBL15037990 0.78 NOS3 (0.47) KMT2AMEN1ALDH1A1BRD4ATAD2

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

“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.