Sugi Predict

Sugi Predict / Compounds / SCHEMBL2829457

SCHEMBL2829457

SCHEMBL2829457

CC(=O)Oc1ccc([N+](=O)[O-])nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.40
▸ MAPT P10636 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ GAA P10253 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ VCP P55072 1/20 0.40
▸ RECQL P46063 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL2729580 0.81 MAPT (0.37) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL8558796 0.80 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL16742902 0.75 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL8326193 0.75 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4710787 0.74 MEN1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4710786 0.74 MEN1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL31508019 0.73 GPR119 (0.37) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL8566610 0.73 NPC1 (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2829068 0.73 GABRP (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL1128204 0.73 KDM4E (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A

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
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 — — 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
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 — — CN 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
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 913/4885MAPT 3444/4885MEN1 2558/4885

“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.