SCHEMBL251973

SCHEMBL251973

CCCCCCCCOc1ccc(Nc2nc(CN3CCC(C(=O)OCC)CC3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
S1PR5 Q9H228 3/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 4/20 0.47
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2695458 0.91 S1PR5 (0.52) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL250502 0.87 RAB9A (0.54) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL254052 0.86 SMN1; SMN2 (0.47) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL205512 0.86 HRH3 (0.45) MAPTNPC1RAB9AS1PR5HRH3
SCHEMBL250489 0.85 SPHK1 (0.45) MAPTGAANPC1RAB9AS1PR5
SCHEMBL251744 0.83 SPHK1 (0.47) MAPTGAARAB9AS1PR5HRH3
SCHEMBL10190843 0.83 MAPT (0.46) MAPTGAANPC1RAB9AS1PR5
SCHEMBL249954 0.82 S1PR5 (0.64) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL206404 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL207070 0.80 HRH3 (0.42) MAPTNPC1RAB9AS1PR5HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 MAPT 2207/4885SMN1; SMN2 3252/4885GAA 1359/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885SMN1; SMN2 3252/4885GAA 1359/4885

“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.