SCHEMBL12009029

SCHEMBL12009029

Cc1cc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ TCF4 P15884 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ POLB P06746 4/20 0.51
▸ NR2F2 P24468 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL12009119 0.92 TCF4 (0.64) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18545458 0.92 TCF4 (0.64) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12009030 0.86 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12009049 0.85 TCF4 (0.68) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18545439 0.85 TCF4 (0.68) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18545491 0.85 TCF4 (0.70) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12009051 0.85 TCF4 (0.70) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12009024 0.85 NR1H4 (0.64) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12009053 0.83 TCF4 (0.60) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18545576 0.83 TCF4 (0.60) MEN1KMT2AMAPTALDH1A1RAB9A

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 MEN1 3747/4885KMT2A 4503/4885MAPT 2143/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885

“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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