SCHEMBL835263

SCHEMBL835263

Cn1c(=O)cc(Sc2ccc(C(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
NQO2 P16083 1/20 0.49
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
PRNP P04156 1/20 0.45
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
HTR1A P08908 1/20 0.40
HTR3A P46098 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
NTSR1 P30989 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL835535 0.85 KDM4E (0.57) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL14300144 0.84 RXFP1 (0.58) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL835184 0.83 KDM4E (0.58) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL834986 0.83 MAPT (0.56) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL835269 0.83 KDM4E (0.51) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL829644 0.83 KDM4E (0.51) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL836028 0.83 KDM4E (0.51) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL835189 0.81 KDM4E (0.51) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL14302620 0.80 KDM4E (0.53) KDM4ENQO2HSD17B10ALDH1A1HPGD
SCHEMBL21918435 0.78 KDM4E (0.56) KDM4ENQO2HSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 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 (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-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A KDM4E 1265/4885NQO2 20/4885HSD17B10 2371/4885

“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.