SCHEMBL835675

SCHEMBL835675

CCn1c(=O)cc(Sc2ccc(Br)cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 8/20 0.53
HPGD P15428 7/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.47
NCOA1 Q15788 1/20 0.47
TP53 P04637 2/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.45

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
SCHEMBL834986 0.82 MAPT (0.56) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL14300313 0.76 HTT (0.40) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL30367071 0.71 MEN1 (0.69) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL17066941 0.71 MEN1 (0.69) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL22802269 0.71 SMN1; SMN2 (0.49) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL9535544 0.70 KDM4E (1.00) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL830137 0.69 CYP1A2 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL835535 0.69 KDM4E (0.57) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL14300144 0.69 RXFP1 (0.58) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL871044 0.68 MAPT (0.65) KDM4EALDH1A1HPGDHTTLMNA

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 1265/4885ALDH1A1 1179/4885HPGD 2113/4885

“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.