SCHEMBL206596

SCHEMBL206596

CCN(CC)C(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.71
NPC1 O15118 9/20 0.71
MEN1 O00255 12/20 0.70
KMT2A Q03164 12/20 0.70
GAA P10253 3/20 0.70
CASP3 P42574 2/20 0.70
SENP8 Q96LD8 2/20 0.70
SENP7 Q9BQF6 2/20 0.70
SENP6 Q9GZR1 2/20 0.70
PKM P14618 1/20 0.65
VCP P55072 1/20 0.65
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
TDP1 Q9NUW8 3/20 0.64
MAPK1 P28482 2/20 0.64
TP53 P04637 1/20 0.64
LMNA P02545 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL208010 0.89 MEN1 (0.74) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL206209 0.88 RAB9A (0.75) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL208199 0.83 RAB9A (0.82) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL14155921 0.83 RAB9A (1.00) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL4579101 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL207402 0.81 RAB9A (0.62) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3127654 0.81 RAB9A (0.67) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL206539 0.80 SMN1; SMN2 (0.77) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL205908 0.80 RAB9A (0.66) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL206589 0.79 MEN1 (0.67) RAB9ANPC1MEN1KMT2AGAA

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 62/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885NPC1 62/4885MEN1 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.