SCHEMBL13446906

SCHEMBL13446906

O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCn1ccnc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 8/20 0.73
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ RAB9A P51151 1/20 0.64
▸ GPR55 Q9Y2T6 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ FFAR1 O14842 1/20 0.60

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
SCHEMBL12008927 0.96 POLB (0.73) POLBMEN1KMT2ATDP1RAB9A
SCHEMBL12008856 0.91 NPC1 (0.63) POLBMEN1KMT2ATDP1RAB9A
SCHEMBL13746177 0.88 POLB (0.61) POLBMEN1KMT2ATDP1RAB9A
SCHEMBL12008911 0.81 FFAR1 (0.70) POLBMEN1KMT2ATDP1RAB9A
SCHEMBL12008888 0.80 CASP3 (0.76) POLBMEN1KMT2ARAB9AGPR55
SCHEMBL12008893 0.79 KMT2A (0.65) POLBMEN1KMT2AGPR55NPC1
SCHEMBL12008863 0.79 KMT2A (0.74) POLBMEN1KMT2ATDP1GPR55
SCHEMBL12008913 0.78 MEN1 (0.77) POLBMEN1KMT2ATDP1GPR55
SCHEMBL12008983 0.77 POLB (1.00) POLBMEN1KMT2ATDP1RAB9A
SCHEMBL12008832 0.77 MEN1 (1.00) POLBMEN1KMT2ATDP1RAB9A

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 10 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-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-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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — 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 POLB 2397/4885MEN1 3747/4885KMT2A 4503/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885MEN1 4655/4885KMT2A 4591/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885MEN1 4655/4885KMT2A 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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