SCHEMBL1942991

SCHEMBL1942991

CC(=O)Nc1cc(CSc2ccsc2C(=O)NCC(C)(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
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
ADORA2A P29274 1/20 0.42
PTPRC P08575 7/20 0.42
PTPRG P23470 7/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
AURKA O14965 1/20 0.40
PTPN1 P18031 2/20 0.38

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
SCHEMBL1941095 0.84 L3MBTL1 (0.53) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL1941188 0.82 L3MBTL1 (0.51) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL4019848 0.82 PTPRC (0.47) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL1941445 0.82 KMT2A (0.49) NPSR1MAPTLMNAL3MBTL1PTPRG
SCHEMBL1942285 0.82 NR3C2 (0.48) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL1940258 0.82 L3MBTL1 (0.50) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL3935955 0.80 NPSR1 (0.43) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL1942772 0.79 L3MBTL1 (0.57) NPSR1MAPTHTTLMNAL3MBTL1
SCHEMBL1940833 0.77 KDR (0.45) MAPTHTTLMNAL3MBTL1CYP1A2
SCHEMBL1942096 0.76 FLT1 (0.44) NPSR1MAPTHTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
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 349/4885MAPT 4537/4885HTT 2163/4885

“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.