SCHEMBL4243948

SCHEMBL4243948

Cc1nc2ccc(C=C3SC(Nc4c(F)cccc4F)=NC3=O)cc2n1CCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 7/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 6/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 3/20 0.34
IDE P14735 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4243944 1.00 RAB9A (0.38) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL4238395 0.90 RAB9A (0.38) RAB9AMAPTKMT2AALDH1A1HTT
SCHEMBL4238397 0.90 RAB9A (0.38) RAB9AMAPTKMT2AALDH1A1HTT
SCHEMBL4248255 0.85 RAB9A (0.37) RAB9AMAPTKMT2AALDH1A1HTT
SCHEMBL4248260 0.85 RAB9A (0.37) RAB9AMAPTKMT2AALDH1A1HTT
SCHEMBL4241938 0.84 HDAC1 (0.41) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL4241942 0.84 HDAC1 (0.41) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL4240380 0.84 KMT2A (0.37) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL4240381 0.84 KMT2A (0.37) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL4246823 0.77 KMT2A (0.39) MAPTKMT2AALDH1A1HDAC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 RAB9A 1029/4885NPC1 2021/4885MAPT 1769/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA RAB9A 1514/4885NPC1 2430/4885MAPT 2228/4885

“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.