SCHEMBL205965

SCHEMBL205965

Fc1cc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)ccc1OCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
CYP1A1 P04798 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP1B1 Q16678 4/20 0.47
MTOR P42345 1/20 0.42
IKBKB O14920 1/20 0.39
ALOX5 P09917 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGES O14684 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL208981 0.86 ALOX5 (0.49) CYP1A1CYP1A2CYP1B1ALOX5MAPT
SCHEMBL209003 0.83 PTGES (0.41) CYP1A1CYP1A2CYP1B1ALOX5MAPT
SCHEMBL205935 0.82 MEN1 (0.55) CYP1A1CYP1A2CYP1B1MAPTSMN1; SMN2
SCHEMBL206190 0.82 ALOX5 (0.42) CYP1A1CYP1A2CYP1B1ALOX5MAPT
SCHEMBL206268 0.82 PTGES (0.42) CYP1A1CYP1A2CYP1B1ALOX5MAPT
SCHEMBL207413 0.81 SPHK1 (0.46) ALOX5
SCHEMBL205720 0.81 PTGES (0.44) CYP1A1CYP1A2CYP1B1ALOX5MAPT
SCHEMBL205926 0.79 PTGES (0.42) CYP1A1CYP1A2CYP1B1ALOX5NPC1
SCHEMBL206195 0.79 PTGES (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL208207 0.79 PTGES (0.45) CYP1A1CYP1A2CYP1B1ALOX5MAPT

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 PSEN1 3602/4885PSEN2 4702/4885APH1B 2275/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PSEN1 3602/4885PSEN2 4702/4885APH1B 2275/4885

“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.