SCHEMBL4393516

SCHEMBL4393516

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 5/20 0.43
POLB P06746 3/20 0.43
EPHX1 P07099 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4394381 1.00 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4395390 0.86 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4400060 0.84 NPC1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4394289 0.84 NPC1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4395389 0.82 MAPT (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4397239 0.80 RAB9A (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4397161 0.80 RAB9A (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5028967 0.78 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL15740342 0.72 NPC1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5030205 0.71 SMN1; SMN2 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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 5 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

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

“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.