SCHEMBL4394223

SCHEMBL4394223

O=C(c1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)s1)c1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALDH1A1 P00352 4/20 0.52
CHRNA7 P36544 3/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNA1 P02708 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
PIK3CA P42336 3/20 0.49

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
SCHEMBL4396088 0.94 NPSR1 (0.70) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4403019 0.91 L3MBTL1 (0.72) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4394262 0.90 HSD17B10 (0.56) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4393336 0.89 NPSR1 (0.67) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4398326 0.89 NPSR1 (0.64) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4399818 0.88 L3MBTL1 (0.72) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4392917 0.86 NPSR1 (0.70) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4404042 0.86 NPSR1 (0.61) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4391173 0.86 NPSR1 (0.61) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7
SCHEMBL4397930 0.85 NPSR1 (0.65) HSD17B10L3MBTL1NPSR1ALDH1A1CHRNA7

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 HSD17B10 3036/4885L3MBTL1 2304/4885NPSR1 3889/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB HSD17B10 3036/4885L3MBTL1 2304/4885NPSR1 3889/4885

“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.