SCHEMBL525316

SCHEMBL525316

O=C(O)c1csc(NCCc2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 2/20 0.48
HTT P42858 3/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
APP P05067 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL525241 0.82 NPC1 (0.60) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL22334910 0.79 RAB9A (0.55) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL22334955 0.79 CYP1A2 (0.53) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL7145427 0.79 ROCK2 (0.67) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL525421 0.77 KDM4E (0.58) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL525873 0.76 RAB9A (0.61) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL3921114 0.75 ALDH1A1 (0.52) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL525588 0.74 NPC1 (0.61) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL525660 0.74 ALDH1A1 (0.54) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL23657165 0.72 CYP1A2 (0.58) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1

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 SMN1; SMN2 3066/4885RAB9A 4547/4885L3MBTL1 4021/4885

“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.