SCHEMBL18674686

SCHEMBL18674686

Cc1ccccc1-c1csc(N2CCOCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.74
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPK1 P28482 2/20 0.56
CNR2 P34972 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL17014746 0.85 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18674685 0.84 AR (0.73) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18674637 0.84 AR (0.83) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17014763 0.83 AR (0.77) ARNPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL10874774 0.83 AR (0.71) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17014752 0.83 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27413114 0.83 AR (0.67) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17014745 0.83 AR (0.74) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17014783 0.82 AR (0.71) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25649388 0.82 AR (0.77) ARNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO 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

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 AR 562/4885NPC1 4834/4885RAB9A 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.