SCHEMBL830502

SCHEMBL830502

Clc1cc(SCc2ccccc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
ELANE P08246 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE7A Q13946 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 4/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 2/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
CYP2C9 P11712 4/20 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
SCHEMBL27040371 0.88 MAOB (0.41) MAOBELANEMEN1KMT2APOLB
SCHEMBL27040562 0.76 GAA (0.40) MAOBELANEALDH1A1HTTTDP1
SCHEMBL16739231 0.76 NR4A2 (0.49) MAOBALDH1A1HTTTDP1MEN1
SCHEMBL8559889 0.75 POLB (0.49) MAOBELANEALDH1A1HTTMEN1
SCHEMBL17397997 0.74 POLB (0.49) MAOBKMT2APOLBNPC1RAB9A
SCHEMBL489903 0.74 RAB9A (0.62) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL830251 0.72 TP53 (0.59) MAOBALDH1A1HTTMEN1KMT2A
SCHEMBL27040549 0.72 CYP3A4 (0.42) MAOBHTTMEN1KMT2ANPC1
SCHEMBL18038691 0.71 POLB (0.51) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL10679407 0.70 POLB (0.64) MAOBALDH1A1MEN1KMT2APOLB

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 MAOB 2978/4885ELANE 2589/4885ALDH1A1 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.