SCHEMBL205565

SCHEMBL205565

COc1ncc(-c2csc(Nc3ccc(OCCCC4CCCC4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
ALOX5 P09917 2/20 0.41
ULK1 O75385 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
MAPT P10636 6/20 0.38
RAB9A P51151 7/20 0.37
GAA P10253 4/20 0.37
PTGS2 P35354 3/20 0.37
PTGES O14684 1/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL205730 0.88 MCHR1 (0.40) MCHR1ALOX5ULK1ULK2CYP1A1
SCHEMBL205364 0.87 MCHR1 (0.39) MCHR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL205759 0.86 ALOX5 (0.44) MCHR1ALOX5ULK1ULK2CYP1A1
SCHEMBL207006 0.86 ALOX5 (0.45) MCHR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL208662 0.85 MEN1 (0.49) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL207559 0.85 CHEK1 (0.41) MCHR1
SCHEMBL206274 0.84 MCHR1 (0.44) MCHR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL208826 0.83 MCHR1 (0.43) MCHR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL205530 0.83 PTGS2 (0.43) MCHR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL2697660 0.82 HPGD (0.39) MCHR1ULK1ULK2

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 10 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 claimed
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 MCHR1 3385/4885ALOX5 3410/4885ULK1 4174/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MCHR1 3385/4885ALOX5 3410/4885ULK1 4174/4885

“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.