SCHEMBL250600

SCHEMBL250600

Cc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
TDP1 Q9NUW8 3/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 11/20 0.58
KMT2A Q03164 11/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
MAPT P10636 6/20 0.58
GAA P10253 4/20 0.58
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
VCP P55072 1/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL206743 0.86 MEN1 (0.80) RAB9ANPC1TDP1POLBMEN1
SCHEMBL7679868 0.81 MAPK1 (0.82) RAB9ANPC1TDP1POLBMEN1
SCHEMBL207484 0.79 GAA (0.65) RAB9ANPC1TDP1POLBMEN1
SCHEMBL16137396 0.77 NPC1 (0.79) RAB9ANPC1TDP1POLBMEN1
SCHEMBL207418 0.75 GAA (0.70) RAB9ANPC1TDP1POLBMEN1
SCHEMBL1889546 0.75 MEN1 (0.76) RAB9ANPC1TDP1POLBMEN1
SCHEMBL206486 0.74 MEN1 (0.76) RAB9ANPC1TDP1POLBMEN1
SCHEMBL206426 0.74 SLC2A1 (0.66) RAB9ANPC1TDP1POLBMEN1
SCHEMBL7540052 0.74 MAPK1 (0.84) RAB9ANPC1TDP1MEN1KMT2A
SCHEMBL206221 0.74 MEN1 (1.00) RAB9ANPC1TDP1POLBMEN1

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 62/4885TDP1 1045/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885NPC1 62/4885TDP1 1045/4885

“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.