SCHEMBL4397252

SCHEMBL4397252

CCN(CC)C(=NC(=S)N(CC)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
ABCC1 P33527 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4401532 0.86 TSHR (0.43) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL4398311 0.78 ALDH1A1 (0.39) KMT2ATHRBPKMNPC1RAB9A
SCHEMBL4397899 0.77 GLA (0.55) POLBKMT2AGLACACNA1BAPBA1
SCHEMBL4398333 0.75 ALDH1A1 (0.39) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL4393201 0.73 KMT2A (0.46) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL4396060 0.73 CCR6 (0.51) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL10783760 0.72 POLB (0.44) POLBKMT2ANPC1RAB9AHPGD
Zinc Ion SCHEMBL11136328 0.72 POLB (0.44) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL10782619 0.72 POLB (0.44) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL4393306 0.71 GLA (0.50) POLBKMT2AGLACACNA1BAPBA1

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-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO 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 (2 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB POLB 3819/4885KMT2A 2707/4885THRB 397/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB POLB 3819/4885KMT2A 2707/4885THRB 397/4885

“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.