SCHEMBL6091102

SCHEMBL6091102

CCC(O)(CC)c1ccc2ncsc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HKDC1 Q2TB90 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NTRK1 P04629 2/20 0.41
NTRK2 Q16620 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 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
SCHEMBL6090347 0.87 ALDH1A1 (0.39) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL8203530 0.82 NPC1 (0.42) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL10235035 0.82 RAB9A (0.42) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL761993 0.78 MEN1 (0.52) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL25054159 0.75 NPC1 (0.45) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL979232 0.74 NPC1 (0.57) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL20991103 0.72 NPC1 (0.42) NPC1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL6089162 0.72 SCN4A (0.60) NPC1RAB9AKDM4EL3MBTL1KMT2A
SCHEMBL6092062 0.72 KMT2A (0.52) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL25159100 0.71 NPC1 (0.41) NPC1RAB9AKDM4EL3MBTL1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R NPC1 610/4885RAB9A 4158/4885KDM4E 3154/4885

“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.