SCHEMBL525062

SCHEMBL525062

Cc1nc(NCCc2ccccc2)sc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL12272389 0.87 NPC1 (0.77) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL4919866 0.86 NPC1 (0.75) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL8555706 0.84 NPC1 (0.73) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL4167891 0.83 NPC1 (0.71) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL4187231 0.81 NPC1 (0.76) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8911198 0.81 NPC1 (0.68) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL5162743 0.80 NPC1 (0.67) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL7144868 0.76 LCK (0.70) NPC1SMN1; SMN2RAB9AALDH1A1PKM
SCHEMBL8556409 0.76 NPC1 (0.60) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL892588 0.76 NPC1 (0.59) NPC1RAB9AALDH1A1MAPTLMNA

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 205/4885SMN1; SMN2 3066/4885RAB9A 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.