SCHEMBL5159486

SCHEMBL5159486

COc1ccc(N)c(CCNCCO)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VSIR Q9H7M9 7/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
PIK3CA P42336 1/20 0.35
CD274 Q9NZQ7 2/20 0.33
PDCD1 Q15116 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL5160842 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10VSIRTSHRL3MBTL1
SCHEMBL5160373 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10VSIRTSHRL3MBTL1
SCHEMBL5159318 0.87 CD274 (0.44) VSIRPIK3CACD274PDCD1PDCD1LG2
SCHEMBL6935324 0.84 NNMT (0.38) ALDH1A1MTNR1AMTNR1B
SCHEMBL5245987 0.79 NNMT (0.41) ALDH1A1HSD17B10TSHRMTNR1AMTNR1B
SCHEMBL27517145 0.78 NNMT (0.38) ALDH1A1MTNR1AMTNR1B
SCHEMBL29634740 0.74 TNF (0.43) ALDH1A1HSD17B10TSHRMTNR1AMTNR1B
SCHEMBL94186 0.74 TNF (0.43) ALDH1A1HSD17B10TSHRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7591939 0.73 TNF (0.43) ALDH1A1HSD17B10TSHRMTNR1AMTNR1B
SCHEMBL15822496 0.72 PDE10A (0.40) ALDH1A1MTNR1AMTNR1BPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238211-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2007-07-03 US claimed
EP-1551360-B1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS IN WHICH THE POSITION 2 AMINO RADICAL IS A DISUBSTITUTED AMINO RADICAL AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES OREAL (FR) 2007-01-24 EP claimed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US claimed
US-7238211-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2007-07-03 US disclosed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US disclosed
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-04-28 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 (2 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-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 ALDH1A1 292/4885HSD17B10 2251/4885VSIR 2042/4885
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 ALDH1A1 292/4885HSD17B10 2251/4885VSIR 2042/4885

“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.