SCHEMBL21117048

SCHEMBL21117048

c1ccc2[nH]c(-c3ccc4cc(-c5ccc6ccoc6c5)sc4c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 10/20 0.44
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 5/20 0.42
PKM P14618 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
GFER P55789 1/20 0.41
USP2 O75604 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
SCHEMBL20098026 0.92 NPC1 (0.44) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL18746103 0.88 MEN1 (0.42) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL20098612 0.84 NPC1 (0.45) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL18389310 0.81 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL20381703 0.79 FOXO1 (0.39) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL21532900 0.79 MEN1 (0.42) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL19629029 0.76 APP (0.53)
SCHEMBL25876960 0.76 ESR1 (0.35)
SCHEMBL18531408 0.74 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL19413156 0.73 NPC1 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD

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
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (2 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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN NPC1 480/4885RAB9A 704/4885GAA 305/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN NPC1 480/4885RAB9A 704/4885GAA 305/4885

“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.