SCHEMBL206234

SCHEMBL206234

CCCCCOc1ccc(Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
MEN1 O00255 8/20 0.50
PTGES O14684 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 4/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSNK2A1 P68400 1/20 0.48
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL206445 0.88 CSNK2A1 (0.53) KMT2AMEN1NPC1MAPTHTT
SCHEMBL205657 0.88 KMT2A (0.47) KMT2AMEN1NPC1MAPTHTT
SCHEMBL206015 0.82 PTGS2 (0.51) PTGESNPC1CYP1A1CYP1B1PTGS2
SCHEMBL207054 0.81 MAPT (0.54) KMT2AMEN1PTGESNPC1MAPT
SCHEMBL207283 0.81 PTGES (0.41) KMT2AMEN1PTGESNPC1MAPT
SCHEMBL12297377 0.81 ALOX5 (0.58) KMT2AMEN1NPC1MAPTHTT
SCHEMBL12297317 0.80 PTGS2 (0.67) KMT2AMEN1NPC1MAPTHTT
SCHEMBL207676 0.80 MAPT (0.53) KMT2AMEN1PTGESNPC1MAPT
SCHEMBL206360 0.80 MEN1 (0.45) KMT2AMEN1PTGESNPC1MAPT
SCHEMBL205267 0.79 CYP1A1 (0.53) KMT2AMEN1PTGESNPC1CYP1A1

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 3862/4885PTGES 2882/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KMT2A 3476/4885MEN1 3862/4885PTGES 2882/4885

“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.