SCHEMBL207676

SCHEMBL207676

CCCCCOc1ccc(Nc2nc(-c3ccccn3)cs2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
KMT2A Q03164 3/20 0.53
RELA Q04206 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
PPP1CA P62136 2/20 0.53
NR1I2 O75469 1/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1B1 Q16678 2/20 0.53
NR4A1 P22736 1/20 0.52
VCP P55072 1/20 0.52
MBD2 Q9UBB5 2/20 0.52
NPY5R Q15761 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
NPC1 O15118 3/20 0.48

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
SCHEMBL206526 0.87 NPY5R (0.57) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL207944 0.87 NPY5R (0.56) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL207054 0.86 MAPT (0.54) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL206015 0.84 PTGS2 (0.51) CYP1A1CYP1A2CYP1B1VCPNPC1
SCHEMBL207768 0.83 MEN1 (0.60) MAPTSMN1; SMN2KMT2AMEN1CYP1A1
SCHEMBL205267 0.83 CYP1A1 (0.53) KMT2AMEN1CYP1A1CYP1A2CYP1B1
SCHEMBL207101 0.83 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL205469 0.82 MAPT (0.62) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL206048 0.82 MAPT (0.62) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL206360 0.82 MEN1 (0.45) MAPTSMN1; SMN2KMT2AMEN1CYP1A1

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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 MAPT 2207/4885SMN1; SMN2 3252/4885NFKB1 3007/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885SMN1; SMN2 3252/4885NFKB1 3007/4885

“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.