SCHEMBL4393320

SCHEMBL4393320

CCN(CC)/C(=N/C(=S)NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.46
EPHX1 P07099 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4398585 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4396060 0.94 CCR6 (0.51) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4402576 0.90 POLB (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4402572 0.90 POLB (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4399822 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4393412 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4399983 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4397822 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL5028982 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL4393306 0.82 GLA (0.50) ALDH1A1SMN1; SMN2GAANPC1RAB9A

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 ALDH1A1 760/4885SMN1; SMN2 4250/4885GAA 3490/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885SMN1; SMN2 4250/4885GAA 3490/4885

“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.