SCHEMBL2831351

SCHEMBL2831351

COCCNc1sc(C)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
HCAR3 P49019 1/20 0.40
PIK3CG P48736 1/20 0.38
NCF1 P14598 1/20 0.37
PTGER4 P35408 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HPGD P15428 2/20 0.36
PPARG P37231 1/20 0.36
PTK2B Q14289 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL18412849 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHCAR3PIK3CG
SCHEMBL18394517 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBPTGER4MEN1
SCHEMBL2825787 0.73 NTRK1 (0.40) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL2827041 0.73 KDM4C (0.38) RAB9ANPC1
SCHEMBL22658880 0.70 TSHR (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5550880 0.69 NTRK1 (0.41) SMN1; SMN2RAB9ANPC1
SCHEMBL2830184 0.68 NTRK1 (0.36) ALDH1A1SMN1; SMN2HCAR3MEN1KMT2A
SCHEMBL8143029 0.67 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBHCAR3PIK3CG
SCHEMBL2825966 0.67 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23211179 0.67 HCAR3 (0.40) ALDH1A1SMN1; SMN2POLBHCAR3PTGER4

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 11 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 claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
CN-108200760-A BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS 英安塔制药有限公司 2018-06-22 CN disclosed
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 ALDH1A1 913/4885SMN1; SMN2 3071/4885POLB 4841/4885

“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.