SCHEMBL24329375

SCHEMBL24329375

CN(C)CCn1ccc(C(=O)Nc2nc3ccncc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.44
RAB9A P51151 11/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
HTT P42858 4/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 5/20 0.43
TP53 P04637 3/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
ROCK2 O75116 1/20 0.41
SCD O00767 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL24329371 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL26884209 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL24329370 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL24329372 0.75 ROCK2 (0.48) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL24329368 0.71 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL24329377 0.71 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL26884264 0.70 LMNA (0.51) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL26658545 0.68 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL26645981 0.68 ROCK2 (0.56) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL23773671 0.68 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 WO 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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 NPC1 2133/4885RAB9A 3504/4885SMN1; SMN2 4696/4885

“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.