SCHEMBL6428801

SCHEMBL6428801

CCCCN(C(=O)CC1SC(NC2CCCCCC2)=NC1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
TP53 P04637 3/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6427997 0.90 PKM (0.40) TP53SMN1; SMN2PKMALDH1A1ALOX15
SCHEMBL6429624 0.87 TP53 (0.40) NPC1JAK2RAB9APAX8TP53
SCHEMBL6429086 0.85 ALDH1A1 (0.40) NPC1RAB9APAX8SMN1; SMN2ALDH1A1
SCHEMBL6428237 0.85 PKM (0.48) NPC1RAB9APAX8TP53SMN1; SMN2
SCHEMBL6426356 0.85 PKM (0.48) NPC1RAB9APAX8TP53SMN1; SMN2
SCHEMBL6425910 0.84 PKM (0.46) TP53SMN1; SMN2PKMALDH1A1TSHR
SCHEMBL6428317 0.80 PKM (0.40) HTR1ADRD2HTR2APKMALDH1A1
SCHEMBL6428549 0.79 KMT2A (0.45) NPC1RAB9AALDH1A1MEN1CYP1A2
SCHEMBL6386580 0.77 ATM (0.37) TP53PKMALDH1A1TSHRMEN1
SCHEMBL6426106 0.75 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 NPC1 277/4885JAK2 4247/4885RAB9A 2649/4885

“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.