SCHEMBL206986

SCHEMBL206986

O=C(O)c1ccc(Oc2ccc(Nc3nc(-c4cccnc4)cs3)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.87
NPC1 O15118 6/20 0.87
CSNK2A1 P68400 7/20 0.69
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 2/20 0.66
PKM P14618 1/20 0.66
VCP P55072 1/20 0.66
LMNA P02545 1/20 0.63
MAPK1 P28482 2/20 0.61
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A3 Q8NEV1 1/20 0.60
TP53 P04637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.58

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
SCHEMBL14155921 0.93 RAB9A (1.00) RAB9ANPC1CSNK2A1MEN1KMT2A
SCHEMBL206711 0.90 MEN1 (0.71) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL209002 0.85 MEN1 (0.86) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL208129 0.85 MEN1 (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1820036 0.84 MEN1 (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL208199 0.84 RAB9A (0.82) RAB9ANPC1CSNK2A1MEN1KMT2A
SCHEMBL1473404 0.83 NPC1 (0.80) RAB9ANPC1CSNK2A1MEN1KMT2A
SCHEMBL1818544 0.82 CSNK2A1 (1.00) RAB9ANPC1CSNK2A1MEN1KMT2A
SCHEMBL206542 0.82 MEN1 (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL207522 0.81 SMN1; SMN2 (0.68) RAB9ANPC1CSNK2A1MEN1KMT2A

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 RAB9A 1357/4885NPC1 62/4885CSNK2A1 1577/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885NPC1 62/4885CSNK2A1 1577/4885

“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.