SCHEMBL12009030

SCHEMBL12009030

Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TCF4 P15884 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ S1PR4 O95977 1/20 0.44

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
SCHEMBL12009083 0.91 TCF4 (0.59) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL18545569 0.91 TCF4 (0.59) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12009021 0.87 TCF4 (0.52) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12009029 0.86 MEN1 (0.57) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL13446978 0.84 TCF4 (0.60) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL13464636 0.83 TCF4 (0.52) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12009024 0.82 NR1H4 (0.64) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL18545439 0.81 TCF4 (0.68) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12009049 0.81 TCF4 (0.68) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12009730 0.80 TCF4 (0.56) KMT2AALDH1A1MEN1MAPTSMN1; SMN2

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
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 — — 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-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-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 (3 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 KMT2A 4503/4885ALDH1A1 935/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885ALDH1A1 413/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885ALDH1A1 413/4885MEN1 4655/4885

“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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