SCHEMBL18674643

SCHEMBL18674643

CCCN(CCO)c1nc(C)cs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NOS1 P29475 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC29A1 Q99808 4/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL18674646 0.93 ALDH1A1 (0.39) ALDH1A1NOS1SMN1; SMN2SLC29A1MAPK1
SCHEMBL22334912 0.91 SMN1; SMN2 (0.40) CRHR1ALDH1A1NOS1SMN1; SMN2MAPK1
SCHEMBL18674687 0.90 SLC29A1 (0.37) ALDH1A1NOS1SMN1; SMN2SLC29A1MAPK1
SCHEMBL18674644 0.88 SLC29A1 (0.42) ALDH1A1NOS1SMN1; SMN2SLC29A1MAPK1
SCHEMBL18674625 0.83 MEN1 (0.39) CRHR1ALDH1A1SLC29A1MAPK1LMNA
SCHEMBL18678344 0.79 KDM4E (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL3506347 0.79 MAPK1 (0.42) ALDH1A1NOS1SMN1; SMN2MAPK1LMNA
SCHEMBL18674632 0.77 MEN1 (0.42) ALDH1A1SLC29A1MAPK1LMNAKDM4E
SCHEMBL17014748 0.76 AR (0.39) CRHR1ALDH1A1MEN1KMT2A
SCHEMBL17014845 0.75 MEN1 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1

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 CRHR1 1657/4885ALDH1A1 515/4885NOS1 2292/4885

“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.