SCHEMBL208919

SCHEMBL208919

c1ccc(Oc2cccc(Nc3nc(-c4ccncc4)cs3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
MAPT P10636 8/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
RAB9A P51151 7/20 0.67
MAPK1 P28482 2/20 0.67
HTT P42858 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
PTGS2 P35354 2/20 0.61
NPC1 O15118 6/20 0.60
ALOX5 P09917 4/20 0.60
CYP1A2 P05177 3/20 0.59
CLK1 P49759 2/20 0.59
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL207928 0.89 NPY5R (0.74) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL12297702 0.88 PTGS2 (0.77) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL208128 0.88 MEN1 (0.78) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL205673 0.88 PTGS2 (0.80) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL1890978 0.86 MEN1 (0.78) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL205256 0.84 CYP1A2 (0.66) MAPTMEN1KMT2ARAB9APTGS2
SCHEMBL1886135 0.84 SMN1; SMN2 (1.00) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL2705770 0.83 PTGES (0.66) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL205866 0.83 CFTR (0.64) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL4238645 0.83 MEN1 (0.64) SMN1; SMN2MAPTMEN1KMT2ARAB9A

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-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-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 SMN1; SMN2 3252/4885MAPT 2207/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885MAPT 2207/4885MEN1 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.