SCHEMBL1303471

SCHEMBL1303471

COc1ccc(C(=O)CCCc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.85
RAB9A P51151 2/20 0.85
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
PDE4B Q07343 1/20 0.67
MAPT P10636 3/20 0.66
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 2/20 0.62
DPP4 P27487 1/20 0.60
ALOX5 P09917 1/20 0.60
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
POLB P06746 1/20 0.56

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
SCHEMBL11776953 0.95 NPC1 (0.82) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1304210 0.92 NPC1 (1.00) NPC1RAB9APDE4BMAPTKMT2A
SCHEMBL8200487 0.92 NPC1 (0.71) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4612572 0.87 NPC1 (0.74) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2928400 0.85 NPC1 (0.87) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL9320692 0.84 RAB9A (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4483889 0.83 NPC1 (0.77) NPC1RAB9APDE4BMAPTKMT2A
SCHEMBL7868896 0.83 NPC1 (0.83) NPC1RAB9APDE4BMAPTL3MBTL1
SCHEMBL8896007 0.83 TDP1 (0.68) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28650296 0.83 RAB9A (0.82) NPC1RAB9APDE4BMAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP 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 (1 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP NPC1 148/4885RAB9A 4686/4885CASP3 1449/4885

“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.