SCHEMBL525241

SCHEMBL525241

O=C(O)c1csc(NCCc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
MAPT P10636 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
HIF1A Q16665 1/20 0.52
ASPH Q12797 1/20 0.49
RIOX2 Q8IUF8 1/20 0.49

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
SCHEMBL525421 0.89 KDM4E (0.58) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL525873 0.87 RAB9A (0.61) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL525660 0.85 ALDH1A1 (0.54) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL525316 0.82 SMN1; SMN2 (0.54) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6950085 0.81 RAB9A (0.52) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14001378 0.78 NPC1 (0.60) NPC1MAPTRAB9AALDH1A1LMNA
Bromide SCHEMBL6029269 0.77 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Fanetizole SCHEMBL1813401 0.76 GAA (0.86) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL525018 0.75 ALDH1A1 (0.60) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14448987 0.75 MAPT (0.57) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US claimed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO claimed
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 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-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 NPC1 205/4885MAPT 2385/4885RAB9A 4547/4885

“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.