SCHEMBL836058

SCHEMBL836058

Cn1c(=O)cc(Sc2cc(Cl)ccc2Cl)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 6/20 0.49
NQO2 P16083 1/20 0.49
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 8/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL835184 0.83 KDM4E (0.58) HPGDTSHRALOX15MAPTLMNA
SCHEMBL835247 0.80 KDM4E (0.51) HPGDTSHRALOX15MAPTLMNA
SCHEMBL835535 0.76 KDM4E (0.57) HPGDTSHRMAPTLMNAKDM4E
SCHEMBL21851838 0.76 KDM4E (0.61) HPGDTSHRALOX15MAPTLMNA
SCHEMBL835657 0.75 KDM4E (0.53) HPGDTSHRMAPTLMNAKDM4E
SCHEMBL829976 0.75 KDM4E (0.65) HPGDTSHRALOX15MAPTLMNA
SCHEMBL29891972 0.75 KDM4E (0.65) HPGDTSHRALOX15MAPTLMNA
SCHEMBL14300144 0.72 RXFP1 (0.58) HPGDTSHRMAPTLMNAKDM4E
SCHEMBL21918435 0.72 KDM4E (0.56) HPGDTSHRALOX15MAPTLMNA
SCHEMBL829644 0.71 KDM4E (0.51) HPGDTSHRMAPTLMNAKDM4E

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 HPGD 2113/4885TSHR 1637/4885ALOX15 4245/4885

“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.