SCHEMBL2825604

SCHEMBL2825604

CCOC(=O)c1ncsc1Nc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ILK Q13418 1/20 0.45
TP53 P04637 1/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 3/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CDC25A P30304 1/20 0.41

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
SCHEMBL2825838 0.90 BRD4 (0.43) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2831043 0.87 ALDH1A1 (0.49) SMN1; SMN2RAB9AKMT2AMEN1ILK
SCHEMBL2829301 0.86 NLRP3 (0.44) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2828951 0.85 TSHR (0.50) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2829727 0.85 ILK (0.45) KMT2AMEN1ILKBRD4MAPT
SCHEMBL2827894 0.82 ILK (0.66) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2826260 0.80 KDM4E (0.55) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2828025 0.80 BRD4 (0.51) SMN1; SMN2NPC1RAB9AILKBRD4
SCHEMBL30668077 0.80 BRD4 (0.51) SMN1; SMN2NPC1RAB9AILKBRD4
SCHEMBL2829177 0.80 KDM4E (0.54) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 SMN1; SMN2 3071/4885NPC1 2568/4885RAB9A 3231/4885

“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.