SCHEMBL4241997

SCHEMBL4241997

Cn1c(NCCO)nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
CISD1 Q9NZ45 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ENPP2 Q13822 1/20 0.36
KMT2A Q03164 2/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
FGFR1 P11362 1/20 0.34
PCSK9 Q8NBP7 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL4242002 1.00 TP53 (0.39) TP53CISD1KDM4EHSD17B10ENPP2
SCHEMBL4247098 0.90 RAD52 (0.36) TP53CISD1ENPP2KMT2ARAD52
SCHEMBL4247096 0.90 RAD52 (0.36) TP53CISD1ENPP2KMT2ARAD52
SCHEMBL4238199 0.86 SMN1; SMN2 (0.40) HSD17B10ALDH1A1SMN1; SMN2FGFR1TSHR
SCHEMBL4238196 0.86 SMN1; SMN2 (0.40) HSD17B10ALDH1A1SMN1; SMN2FGFR1TSHR
SCHEMBL4237289 0.85 NPC1 (0.42) CISD1KDM4EENPP2KMT2AALDH1A1
SCHEMBL4237282 0.85 NPC1 (0.42) CISD1KDM4EENPP2KMT2AALDH1A1
SCHEMBL4238322 0.82 ENPP2 (0.37) CISD1ENPP2KMT2AALDH1A1HDAC1
SCHEMBL4238325 0.82 ENPP2 (0.37) CISD1ENPP2KMT2AALDH1A1HDAC1
SCHEMBL4240636 0.82 ENPP2 (0.36) CISD1ENPP2KMT2AHDAC1MEN1

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 TP53 2336/4885CISD1 2650/4885KDM4E 2565/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA TP53 928/4885CISD1 4327/4885KDM4E 3686/4885

“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.