SCHEMBL18674591

SCHEMBL18674591

CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 5/20 0.63
AR P10275 3/20 0.63
TP53 P04637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
ALOX15 P16050 1/20 0.63
RAB9A P51151 7/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPC1 O15118 5/20 0.60
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.55
RECQL P46063 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 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
SCHEMBL18674596 0.89 MAPK1 (0.81) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18674670 0.85 AR (0.84) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3018443 0.85 LMNA (0.74) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18678336 0.83 LMNA (0.71) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3001207 0.83 LMNA (0.70) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14183837 0.81 SMN1; SMN2 (0.72) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2998664 0.81 LMNA (0.68) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3012515 0.81 LMNA (0.68) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18674658 0.81 LMNA (0.68) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18674606 0.81 LMNA (0.68) MAPK1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 2104/4885LMNA 618/4885MEN1 3239/4885

“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.