SCHEMBL3935955

SCHEMBL3935955

CC(=O)Nc1cc(CSc2ccsc2C(=O)Nc2cc3ccccc3cn2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALPG P10696 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
AURKA O14965 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PTPRC P08575 4/20 0.40
PTPRG P23470 3/20 0.40
PTPN1 P18031 1/20 0.40
MTOR P42345 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
SCHEMBL4018249 0.88 WNT3A (0.48) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1940949 0.85 KMT2A (0.51) L3MBTL1LMNAGSK3BGSK3AAURKA
SCHEMBL1940258 0.83 L3MBTL1 (0.50) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1941188 0.82 L3MBTL1 (0.51) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1942991 0.80 NPSR1 (0.43) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1941095 0.80 L3MBTL1 (0.53) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1941002 0.79 KDR (0.48) L3MBTL1MAPTHTTLMNACYP3A4
SCHEMBL1942096 0.79 FLT1 (0.44) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1942772 0.79 L3MBTL1 (0.57) NPSR1L3MBTL1MAPTHTTHPGD
SCHEMBL1942285 0.78 NR3C2 (0.48) NPSR1L3MBTL1MAPTHTTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 NPSR1 349/4885L3MBTL1 2780/4885MAPT 4537/4885

“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.