SCHEMBL19756502

SCHEMBL19756502

CCCOCc1ncc(C(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
BRD4 O60885 1/20 0.32
MITF O75030 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.30

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
SCHEMBL19251360 0.78
SCHEMBL19756407 0.76 IDO1 (0.32) L3MBTL1
SCHEMBL18120361 0.75 ACACB (0.39) NPC1
SCHEMBL25337982 0.74 NPC1 (0.46) KDM4ENPC1BRD4MITFL3MBTL1
SCHEMBL19756419 0.74 MEN1 (0.30) NPC1
SCHEMBL15044982 0.73 NPC1 (0.32) NPC1
SCHEMBL25368687 0.73 KDM4E (0.34) KDM4ENPC1BRD4MITFL3MBTL1
SCHEMBL19105520 0.70 TYR (0.31)
SCHEMBL16386816 0.69 IDO1 (0.57) KDM4ENPC1L3MBTL1
SCHEMBL20376503 0.68 KDM4E (0.31) HSD17B10KDM4ENPC1BRD4MITF

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-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 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-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HSD17B10 356/4885KDM4E 2371/4885NPC1 1885/4885

“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.