SCHEMBL18678147

SCHEMBL18678147

CCCCN(CC)c1nc(-c2ccccc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 11/20 0.50
ATP4B P51164 11/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
STAT1 P42224 1/20 0.50
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL8137225 0.94 RAB9A (0.52) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL20243238 0.91 KMT2A (0.49) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL18674609 0.91 RAB9A (0.51) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL18674600 0.89 RAB9A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL8378346 0.88 RAB9A (0.54) RAB9AALDH1A1NPC1MAPTSTAT1
SCHEMBL18674665 0.83 TP53 (0.50) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL18674603 0.83 RAB9A (0.58) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL18674607 0.82 ALDH1A1 (0.57) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL18674657 0.82 KMT2A (0.53) RAB9AALDH1A1NPC1MAPTTP53
SCHEMBL20243711 0.80 RAB9A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1

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 2 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 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 ATP4A 1032/4885ATP4B 968/4885RAB9A 3590/4885

“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.