SCHEMBL18674656

SCHEMBL18674656

NCCCN1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
AR P10275 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
RAB9A P51151 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 5/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2D6 P10635 1/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL17266305 0.92 LMNA (0.67) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18674606 0.84 LMNA (0.68) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18674670 0.83 AR (0.84) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18678232 0.82 LMNA (0.62) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18678336 0.81 LMNA (0.71) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL14183837 0.79 SMN1; SMN2 (0.72) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18678183 0.78 KDM4E (0.67) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18674664 0.78 AR (0.75) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL18674671 0.77 AR (0.97) LMNANPSR1ARSMN1; SMN2TP53
SCHEMBL6619093 0.76 NOS1 (0.71) LMNANPSR1ARSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 EP claimed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 LMNA 618/4885NPSR1 1859/4885AR 562/4885

“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.