SCHEMBL525873

SCHEMBL525873

O=C(O)c1csc(NCCc2cccnc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TBXAS1 P24557 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP13 P45452 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL525018 0.87 ALDH1A1 (0.60) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525241 0.87 NPC1 (0.60) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525421 0.84 KDM4E (0.58) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525316 0.76 SMN1; SMN2 (0.54) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL19851055 0.76 RAB9A (1.00) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525660 0.76 ALDH1A1 (0.54) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27754680 0.75 MAPT (0.79) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525526 0.75 MAPK1 (0.62) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL525405 0.75 HSD11B1 (0.55) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL26780712 0.73 MAPT (0.68) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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 RAB9A 4547/4885ALDH1A1 196/4885MAPT 2385/4885

“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.