SCHEMBL12008466

SCHEMBL12008466

O=C(O)CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.69
▸ MAOA P21397 1/20 0.69
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ NOD2 Q9HC29 1/20 0.62
▸ CTNNB1 P35222 1/20 0.59
▸ TCF7L2 Q9NQB0 1/20 0.59
▸ DUSP26 Q9BV47 1/20 0.58
▸ PPARG P37231 2/20 0.58
▸ DDX3X O00571 2/20 0.58
▸ MAP3K5 Q99683 1/20 0.57
▸ FFAR1 O14842 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ AKR1B1 P15121 2/20 0.55

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
SCHEMBL12008733 0.94 POLB (0.63) CISD1MAOAKMT2AMEN1POLB
SCHEMBL10492290 0.89 MEN1 (0.64) KMT2AMEN1POLBNOD2AKR1B1
SCHEMBL10492287 0.89 MEN1 (0.64) KMT2AMEN1POLBNOD2AKR1B1
SCHEMBL12417257 0.86 MEN1 (0.56) CISD1MAOAKMT2AMEN1POLB
SCHEMBL12008790 0.84 PPARG (0.76) CISD1MAOAKMT2AMEN1POLB
SCHEMBL12008566 0.83 CISD1 (0.73) CISD1MAOAKMT2AMEN1POLB
SCHEMBL12008769 0.82 CISD1 (1.00) CISD1MAOAKMT2AMEN1POLB
SCHEMBL22971853 0.82 CISD1 (1.00) CISD1MAOAKMT2AMEN1POLB
SCHEMBL12008802 0.82 CISD1 (0.72) CISD1MAOAKMT2AMEN1POLB
SCHEMBL6884863 0.82 CISD1 (0.72) CISD1MAOAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — US disclosed
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 — — US disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 — — 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 (4 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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CISD1 2475/4885MAOA 4320/4885KMT2A 4503/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885KMT2A 4591/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885KMT2A 4591/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885KMT2A 4591/4885

“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.

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