SCHEMBL4241880

SCHEMBL4241880

CCN(CC)CCn1cnc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.36
HTR6 P50406 1/20 0.35
ENPP2 Q13822 1/20 0.34
IKBKB O14920 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALOX5 P09917 2/20 0.33
HDAC1 Q13547 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
FGFR1 P11362 2/20 0.32
SRC P12931 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
TNNC1 P63316 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL4241884 1.00 CISD1 (0.36) CISD1HTR6ENPP2IKBKBMEN1
SCHEMBL4245898 0.92 HTR6 (0.42) CISD1HTR6ENPP2MEN1KMT2A
SCHEMBL4245895 0.92 HTR6 (0.42) CISD1HTR6ENPP2MEN1KMT2A
SCHEMBL4241371 0.91 CISD1 (0.38) CISD1HTR6ENPP2IKBKBMEN1
SCHEMBL4241373 0.91 CISD1 (0.38) CISD1HTR6ENPP2IKBKBMEN1
SCHEMBL4248162 0.88 HSD17B13 (0.41) CISD1ENPP2MEN1KMT2AALOX5
SCHEMBL4248165 0.88 HSD17B13 (0.41) CISD1ENPP2MEN1KMT2AALOX5
SCHEMBL4240336 0.85 LMNA (0.39) CISD1ENPP2HDAC1PIM1PIM3
SCHEMBL4241173 0.85 HDAC1 (0.41) CISD1ENPP2MEN1KMT2AHDAC1
SCHEMBL4241180 0.85 HDAC1 (0.41) CISD1ENPP2MEN1KMT2AHDAC1

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
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
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 CISD1 2650/4885HTR6 3737/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885HTR6 1179/4885ENPP2 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.