SCHEMBL6541373

SCHEMBL6541373

CCOC(=O)C=Cc1cnn2c1N(C=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
CDK19 Q9BWU1 1/20 0.36
DPP4 P27487 2/20 0.36
TTR P02766 1/20 0.36
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6541371 1.00 NPC1 (0.40) NPC1RAB9ASCN9ASCN10ACA12
SCHEMBL5148594 0.80 NPC1 (0.33) NPC1RAB9ACA1CA2CCNC
SCHEMBL9020097 0.77 SMN1; SMN2 (0.43) NPC1RAB9AALDH1A1PKM
SCHEMBL5148546 0.72 CCNC (0.40) NPC1RAB9ACA12CA1CA2
SCHEMBL5148542 0.72 CCNC (0.40) NPC1RAB9ACA12CA1CA2
SCHEMBL27632131 0.71 KDM4E (0.56) NPC1RAB9ACA12CA1CA2
SCHEMBL27632130 0.71 KDM4E (0.56) NPC1RAB9ACA12CA1CA2
SCHEMBL29174207 0.69 CCNC (0.49) NPC1RAB9ACA12CA1CA2
SCHEMBL29174208 0.66 CCNC (0.47) NPC1RAB9ACA12CA1CA2
SCHEMBL12694558 0.65 NPC1 (0.64) NPC1RAB9ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 NPC1 223/4885RAB9A 2742/4885SCN9A 2114/4885

“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.