SCHEMBL1496320

SCHEMBL1496320

Cc1cc(NC(=O)c2cccnc2SCc2ccnc3ccccc23)ccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
LMNA P02545 3/20 0.43
ACLY P53396 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.41
BLK P51451 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
NR4A1 P22736 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM4 Q14833 1/20 0.38
CFTR P13569 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
SCHEMBL1496413 0.96 KDR (0.42) KDRLMNAACLYHTTKDM4E
SCHEMBL1496312 0.87 KMT2A (0.47) KDRLMNAACLYHTTKDM4E
SCHEMBL1496313 0.86 KDM4E (0.45) KDRLMNAACLYHTTKDM4E
SCHEMBL1496273 0.84 KDR (0.48) KDRLMNAKDM4EKMT2AALDH1A1
SCHEMBL1496291 0.84 KDM4E (0.47) KDRLMNAACLYHTTKDM4E
SCHEMBL1496280 0.83 KDR (0.53) KDRLMNAACLYHTTKDM4E
SCHEMBL4021583 0.82 KDR (0.65) KDRLMNAATMKMT2ABLK
SCHEMBL1496367 0.82 KDR (0.53) KDRLMNAACLYKMT2AALDH1A1
SCHEMBL1496305 0.81 KDR (0.50) KDRLMNAACLYKMT2AALDH1A1
SCHEMBL1496366 0.81 KDR (0.66) KDRACLYKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 3463/4885LMNA 4525/4885ACLY 258/4885

“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.