SCHEMBL4393532

SCHEMBL4393532

O=c1c2ccccc2nc(CCl)n1-c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
LMNA P02545 4/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
POLB P06746 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
IDO2 Q6ZQW0 1/20 0.54
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.53
PIK3CG P48736 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 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
SCHEMBL3424613 0.87 ALDH1A1 (0.65) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL734850 0.87 KDM4E (0.50) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL732147 0.86 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL733162 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL6217108 0.85 ALDH1A1 (0.63) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL4393433 0.84 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL734149 0.84 PIK3CG (0.54) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL734626 0.84 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL734978 0.84 HTR7 (0.50) ALDH1A1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL735152 0.84

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 760/4885LMNA 4878/4885KDM4E 2475/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885LMNA 4878/4885KDM4E 2475/4885

“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.