SCHEMBL836042

SCHEMBL836042

Cn1c(=O)cc(Sc2ccc(Br)cc2)c2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
RXFP1 Q9HBX9 5/20 0.47
TP53 P04637 1/20 0.47
RHEB Q15382 2/20 0.46
MAPT P10636 4/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL835287 0.85 RXFP1 (0.43) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL834986 0.83 MAPT (0.56) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL836059 0.83 RHEB (0.50) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL835197 0.82 RXFP1 (0.49) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL835184 0.81 KDM4E (0.58) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL836061 0.77 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1RXFP1TP53RHEB
SCHEMBL835025 0.76 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TP53RHEBMAPT
SCHEMBL836066 0.76 RXFP1 (0.48) HTTSMN1; SMN2ALDH1A1RXFP1TP53
SCHEMBL835002 0.75 RXFP1 (0.45) HTTSMN1; SMN2ALDH1A1RXFP1RHEB
SCHEMBL829660 0.72 MEN1 (0.43) HTTSMN1; SMN2ALDH1A1RXFP1TP53

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 HTT 836/4885SMN1; SMN2 4686/4885ALDH1A1 1179/4885

“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.