SCHEMBL829690

SCHEMBL829690

Nc1ccc(Sc2cc(Cl)nc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.59
MAPT P10636 2/20 0.51
PDE7A Q13946 1/20 0.47
DHFR P00374 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 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
SCHEMBL830251 0.87 TP53 (0.59) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL830704 0.84 HTT (0.51) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL829774 0.84 MEN1 (0.49) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL830551 0.84 MAPT (0.52) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL828917 0.81 TP53 (0.49) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL829447 0.81 DHFR (0.47) KDM1AMAPTDHFRTP53KDM4E
SCHEMBL829981 0.81 AURKA (0.48) KDM1AMAPTDHFRTP53SMN1; SMN2
SCHEMBL7488303 0.74 KDM1A (0.54) KDM1AMAPTPDE7ADHFRTP53
SCHEMBL1845376 0.72 NCF1 (0.60) MAPTTP53SMN1; SMN2MEN1CYP1A2
SCHEMBL4394098 0.72 MAPT (0.65) KDM1AMAPTPDE7ADHFRSMN1; SMN2

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 9 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-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
EP-2061466-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS Xtl Biopharmaceuticals Ltd. (US) 2009-05-27 EP 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
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
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 KDM1A 2855/4885MAPT 2002/4885PDE7A 2922/4885

“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.