SCHEMBL205657

SCHEMBL205657

CCCCCOc1ccc(Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.47
MEN1 O00255 9/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CSNK2A1 P68400 1/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL250067 0.90 VCP (0.54) KMT2AMEN1MAPTLMNACYP3A4
SCHEMBL205026 0.89 PTGS2 (0.56) KMT2AMEN1MAPTSMN1; SMN2CSNK2A1
SCHEMBL206234 0.88 KMT2A (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL207847 0.88 PTGS2 (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL206445 0.86 CSNK2A1 (0.53) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL207232 0.83 MEN1 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL250321 0.83 S1PR1 (0.48) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL208365 0.83 S1PR1 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL250309 0.83 VCP (0.52) PTGS2S1PR1VCP
SCHEMBL207241 0.83 PTGS2 (0.48) NPC1PTGS2S1PR1VCPALOX5

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 KMT2A 3476/4885MEN1 3862/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KMT2A 3476/4885MEN1 3862/4885MAPT 2207/4885

“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.