SCHEMBL4397239

SCHEMBL4397239

CCN(CC)/C(=N\C(=S)Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 6/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
EPHX1 P07099 1/20 0.45
NOX1 Q9Y5S8 1/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
CYP19A1 P11511 1/20 0.41
GLA P06280 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL4397161 1.00 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4398428 0.90 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4398265 0.90 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4397899 0.88 GLA (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4397162 0.84 NPC1 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL5028967 0.82 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4394381 0.80 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4393516 0.80 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4393306 0.80 GLA (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4402572 0.76 POLB (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2GAA

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 RAB9A 3231/4885NPC1 3673/4885ALDH1A1 760/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB RAB9A 3231/4885NPC1 3673/4885ALDH1A1 760/4885

“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.