SCHEMBL21064489

SCHEMBL21064489

Cn1ncc(CNC(=O)Oc2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KCNA5 P22460 1/20 0.42
EPHX1 P07099 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL3114686 0.77 ALDH1A1 (0.46) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL28335753 0.72 ALDH1A1 (0.59) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL242843 0.70 HSD17B10 (0.55) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL8122573 0.70 POLB (0.63) NPC1RAB9AALDH1A1HTT
SCHEMBL21261732 0.70 HSD17B10 (0.58) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL5108159 0.69 NPC1 (0.69) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL4677107 0.69 MEN1 (0.58) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL241820 0.68 HSD17B10 (0.49) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL21925516 0.67 HSD17B10 (0.54) NPC1RAB9AHSD17B10ALDH1A1HTT
SCHEMBL126140 0.67 HSD17B10 (0.54) NPC1RAB9AHSD17B10ALDH1A1

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-10308666-B2 7-aminocephem derivative compounds MERCK SHARP & DOHME CORP. (US) 2019-06-04 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-10308666-B2 7-aminocephem derivative compounds AAAS, ALAD, NPEPPS NPC1 2262/4885RAB9A 1072/4885HSD17B10 1283/4885

“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.