SCHEMBL1496285

SCHEMBL1496285

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc3cc(Br)ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
KDR P35968 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
SORT1 Q99523 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
TAS2R8 Q9NYW2 1/20 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
SCHEMBL1496291 0.88 KDM4E (0.47) KDM4EHTTKDRKMT2AMEN1
SCHEMBL1496254 0.87 KDR (0.48) KDM4EHTTKDRKMT2AMEN1
SCHEMBL1496351 0.85 LMNA (0.52) KDM4EHTTKDRALDH1A1LMNA
SCHEMBL1496357 0.83 MAPT (0.48) KDM4EHTTKDRKMT2AMEN1
SCHEMBL1496385 0.82 MEN1 (0.62) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL2908904 0.81 KDR (0.46) KDM4EHTTKDRKMT2AMEN1
SCHEMBL1496333 0.80 KDR (0.46) KDM4EHTTKDRKMT2AMEN1
SCHEMBL2909264 0.79 LMNA (0.50) KDM4EHTTKDRKMT2AMEN1
SCHEMBL1941751 0.79 KDR (0.54) KDM4EHTTKDRKMT2AMEN1
SCHEMBL2916664 0.79 LMNA (0.49) KDM4EHTTKDRKMT2AMEN1

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
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US claimed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US claimed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 EP claimed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 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-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SQOR, QSOX1, SQLE KDM4E 2176/4885HTT 2298/4885KDR 3463/4885

“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.