SCHEMBL24329370

SCHEMBL24329370

CN(C)CCn1ccc(C(=O)Nc2nc3cccnc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.43
RAB9A P51151 10/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.39
OPRK1 P41145 2/20 0.39
HTT P42858 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
IRAK1 P51617 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 1/20 0.38
FTO Q9C0B1 1/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL24329832 0.87 NPC1 (0.44) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL26603055 0.84 POLB (0.48) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329375 0.80 NPC1 (0.44) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329367 0.75 HCRTR1 (0.43) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329695 0.74 RAB9A (0.60) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329369 0.71 NPC1 (0.53) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL185171 0.70 DYRK1A (0.60) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL26884264 0.70 LMNA (0.51) NPC1RAB9APOLBMAPTHTT
SCHEMBL24329828 0.68 RAB9A (0.44) NPC1RAB9APOLBMAPTHTT
SCHEMBL26658545 0.68 NPC1 (0.67) NPC1RAB9AHTTSMN1; SMN2KDM4E

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 3504/4885POLB 3295/4885

“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.