SCHEMBL12006901

SCHEMBL12006901

O=C(O)CCCN1C(=O)/C(=C/c2ccccn2)SC1=S

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ KMT2A Q03164 7/20 0.67
▸ MAPT P10636 6/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ FFAR1 O14842 5/20 0.64
▸ MEN1 O00255 5/20 0.62
▸ POLB P06746 3/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ CISD1 Q9NZ45 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ CYP1A2 P05177 1/20 0.59
▸ HSP90AA1 P07900 1/20 0.59

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
SCHEMBL12008817 1.00 NPC1 (0.71) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL12008816 0.93 RAB9A (0.73) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL12006889 0.90 MAPK1 (0.66) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL6883216 0.86 NPC1 (0.69) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL6883219 0.86 NPC1 (0.69) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL12008800 0.83 CISD1 (0.85) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL12008819 0.82 MAPT (0.61) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL12008622 0.81 POLB (0.68) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL12008487 0.80 FFAR1 (0.66) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL12008471 0.80 POLB (0.69) NPC1RAB9AMAPK1KMT2AMAPT

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 NPC1 1545/4885RAB9A 3368/4885MAPK1 1617/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885RAB9A 3367/4885MAPK1 2030/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885RAB9A 3367/4885MAPK1 2030/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885RAB9A 3367/4885MAPK1 2030/4885

“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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