SCHEMBL208181

SCHEMBL208181

CCCCCCCCN(C)c1ccc(Nc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
PTGS2 P35354 5/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.36
RECQL P46063 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
VCP P55072 3/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL206861 0.87 ALOX5 (0.39) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL206050 0.86 ALOX5 (0.38) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL2695446 0.86 RAB9A (0.41) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL207601 0.85 S1PR1 (0.41) ALOX5PTGS2MEN1KMT2ARAB9A
SCHEMBL205759 0.85 ALOX5 (0.44) ALOX5PTGS2MEN1KMT2ARAB9A
SCHEMBL2755709 0.85 S1PR1 (0.41) ALOX5PTGS2MEN1KMT2ARAB9A
SCHEMBL2698387 0.85 ALOX5 (0.47) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL2695728 0.84 ALOX5 (0.53) ALOX5PTGS2MEN1KMT2AMAPT
SCHEMBL2696920 0.84 ALOX5 (0.39) ALOX5PTGS2MEN1KMT2ARAB9A
SCHEMBL2699866 0.84 MEN1 (0.53) MEN1KMT2ARAB9ANPC1MAPT

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 5 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-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

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 ALOX5 3410/4885PTGS2 3352/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885PTGS2 3352/4885MEN1 3862/4885

“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.