SCHEMBL14814911

SCHEMBL14814911

CC(C)(C)CC(C)(C)OC(=O)N(Nc1nc(-c2ccccc2)cs1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ELOVL1 Q9BW60 1/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
PARP1 P09874 1/20 0.43
PKM P14618 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
APP P05067 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL14814909 0.83 MAPT (0.51) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL14829853 0.73 MAPT (0.51) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL14815000 0.71 ADORA3 (0.46) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL21225310 0.70 RAB9A (0.60) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL14814463 0.70 MAPT (0.66) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL22753373 0.69 MAPT (0.68) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL2753592 0.68 MAPT (0.63) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL10807092 0.67 PARP1 (0.72) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL29470100 0.67 RAB9A (0.61) MAPTRAB9ANPC1SENP7KMT2A
SCHEMBL21812678 0.67 MAPK1 (0.53) MAPTRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES SMITH EMILIE D (US) 2013-04-04 US 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-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES TGM2, CCT5, TSHR MAPT 1520/4885RAB9A 4694/4885NPC1 294/4885

“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.