SCHEMBL836059

SCHEMBL836059

Cc1ccc2c(c1)c(Sc1ccc(Cl)cc1)cc(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.50
RXFP1 Q9HBX9 4/20 0.48
TP53 P04637 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HTR1A P08908 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
SCHEMBL836066 0.92 RXFP1 (0.48) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL835284 0.86 RXFP1 (0.43) RHEBRXFP1TP53KDM4EHTT
SCHEMBL829660 0.86 MEN1 (0.43) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL835287 0.86 RXFP1 (0.43) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL14302623 0.86 LMNA (0.43) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL835197 0.85 RXFP1 (0.49) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL835184 0.85 KDM4E (0.58) RHEBRXFP1TP53CYP2C9KDM4E
SCHEMBL14302622 0.84 LMNA (0.41) RHEBRXFP1TP53PTGDR2KDM4E
SCHEMBL836061 0.84 ALDH1A1 (0.54) RHEBRXFP1TP53PTGDR2CYP2C9
SCHEMBL836042 0.83 HTT (0.49) RHEBRXFP1TP53PTGDR2CYP2C9

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 RHEB 2734/4885RXFP1 4782/4885TP53 335/4885

“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.