SCHEMBL4248255

SCHEMBL4248255

Cc1nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc2n1CCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
GSK3B P49841 1/20 0.37
ENPP2 Q13822 2/20 0.36
LMNA P02545 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPT P10636 1/20 0.36
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ESRRA P11474 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 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
SCHEMBL4248260 1.00 RAB9A (0.37) RAB9AGSK3BENPP2LMNAHDAC1
SCHEMBL4238395 0.91 RAB9A (0.38) RAB9AENPP2LMNAHDAC1HDAC8
SCHEMBL4238397 0.91 RAB9A (0.38) RAB9AENPP2LMNAHDAC1HDAC8
SCHEMBL4241164 0.86 GSK3B (0.38) RAB9AGSK3BENPP2HDAC1HDAC8
SCHEMBL4241167 0.86 GSK3B (0.38) RAB9AGSK3BENPP2HDAC1HDAC8
SCHEMBL4243944 0.85 RAB9A (0.38) RAB9ALMNAHDAC1HDAC8HDAC6
SCHEMBL4243948 0.85 RAB9A (0.38) RAB9ALMNAHDAC1HDAC8HDAC6
SCHEMBL4244118 0.84 HDAC1 (0.42) ENPP2HDAC1MAPTMCHR1KMT2A
SCHEMBL4244117 0.84 HDAC1 (0.42) ENPP2HDAC1MAPTMCHR1KMT2A
SCHEMBL4237282 0.84 NPC1 (0.42) RAB9AGSK3BENPP2LMNAHDAC1

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 4 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
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US 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 1029/4885GSK3B 555/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA RAB9A 1514/4885GSK3B 101/4885ENPP2 562/4885

“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.