SCHEMBL1940433

SCHEMBL1940433

Cc1cc(C)cc(NC(=O)c2sccc2SCc2ccnc(N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALPG P10696 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
PTPRC P08575 7/20 0.43
PTPRG P23470 6/20 0.43
PTPN1 P18031 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 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
SCHEMBL4018614 0.88 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL4024240 0.86 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1941188 0.86 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1784766 0.83 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1941030 0.82 PKM (0.57) L3MBTL1MAPTHPGDALDH1A1LMNA
SCHEMBL1939690 0.81 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
Hydrochloric Acid SCHEMBL3924243 0.81 PKM (0.56) L3MBTL1MAPTHPGDALDH1A1LMNA
SCHEMBL1496405 0.78 KDR (0.47) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL4017975 0.77 KDR (0.58) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1940705 0.76 KDR (0.54) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 L3MBTL1 2780/4885CYP1A2 3017/4885CYP3A4 1574/4885

“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.