SCHEMBL2825838

SCHEMBL2825838

CCOC(=O)c1ncsc1Nc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ILK Q13418 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CDC25B P30305 3/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL2825604 0.90 SMN1; SMN2 (0.47) BRD4ILKSMN1; SMN2RAB9ANPC1
SCHEMBL2829301 0.86 NLRP3 (0.44) BRD4ILKSMN1; SMN2RAB9ANPC1
SCHEMBL2831043 0.83 ALDH1A1 (0.49) BRD4ILKSMN1; SMN2RAB9AMEN1
SCHEMBL2828951 0.81 TSHR (0.50) ILKSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2829269 0.81 CSNK2A1 (0.43) RAB9ANPC1TP53LMNAKDM4E
SCHEMBL2829727 0.81 ILK (0.45) BRD4ILKMEN1KMT2ACDC25B
SCHEMBL2828025 0.80 BRD4 (0.51) BRD4ILKSMN1; SMN2RAB9ANPC1
SCHEMBL30668077 0.80 BRD4 (0.51) BRD4ILKSMN1; SMN2RAB9ANPC1
SCHEMBL2827633 0.79 HTT (0.53) ILKSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2829177 0.78 KDM4E (0.54) ILKSMN1; SMN2RAB9ANPC1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO 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 (1 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 BRD4 905/4885ILK 4686/4885SMN1; SMN2 3071/4885

“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.