SCHEMBL4402541

SCHEMBL4402541

Cc1cccc2nc(Cl)n(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
PIK3CD O00329 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 2/20 0.43
DHODH Q02127 1/20 0.42
GRM1 Q13255 2/20 0.42
GRM5 P41594 1/20 0.42
PARP1 P09874 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL27652457 0.86 PIK3CD (0.46) PIK3CDSMN1; SMN2HRH3KCNH2POLB
SCHEMBL7013206 0.77 SMN1; SMN2 (0.49) PIK3CDSMN1; SMN2PARP1ELANE
SCHEMBL16596948 0.75 HDAC1 (0.57) PIK3CDSMN1; SMN2HRH3KCNH2POLB
SCHEMBL30726108 0.75 HDAC1 (0.57) PIK3CDSMN1; SMN2HRH3KCNH2POLB
SCHEMBL28924700 0.74 HRH3 (0.56) ESR2PIK3CDSMN1; SMN2HRH3KCNH2
SCHEMBL16596972 0.74 HRH3 (0.56) ESR2PIK3CDSMN1; SMN2HRH3KCNH2
SCHEMBL1993198 0.72 PDE4B (0.44) ESR2PIK3CDSMN1; SMN2HRH3POLB
SCHEMBL27672649 0.72 PIK3CD (0.53) PIK3CDHRH3KCNH2KDM4EPIK3R1
SCHEMBL9670318 0.72 PIK3CD (0.49) PIK3CDHRH3KCNH2POLBPARP1
SCHEMBL20404396 0.71 PIK3CD (0.57) ESR2PIK3CDSMN1; SMN2HRH3KCNH2

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 ESR2 1638/4885PIK3CD 3736/4885SMN1; SMN2 4250/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ESR2 1638/4885PIK3CD 3736/4885SMN1; SMN2 4250/4885

“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.