SCHEMBL1496372

SCHEMBL1496372

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1S

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KDR P35968 1/20 0.61
DHODH Q02127 1/20 0.57
TRPV1 Q8NER1 3/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ABL1 P00519 5/20 0.53
EPHX2 P34913 1/20 0.52
TSHR P16473 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNH2 Q12809 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1499586 0.85 MAPT (0.61) MAPTKDRDHODHTRPV1NPC1
SCHEMBL22112263 0.82 KDR (0.68) MAPTKDRDHODHTRPV1NPC1
SCHEMBL1496356 0.81 TRPV1 (0.59) MAPTKDRTRPV1NPC1RAB9A
SCHEMBL21938284 0.80 MEN1 (0.73) MAPTNPC1RAB9AL3MBTL1KMT2A
SCHEMBL13175094 0.79 PRKCI (0.67) MAPTRAB9AKMT2AMEN1HTT
SCHEMBL12766860 0.79 KDR (0.72) MAPTKDRDHODHTRPV1NPC1
SCHEMBL2533682 0.79 NPC1 (0.71) MAPTTRPV1NPC1RAB9AL3MBTL1
SCHEMBL30904871 0.79 NPC1 (0.71) MAPTTRPV1NPC1RAB9AL3MBTL1
SCHEMBL1496330 0.78 NPC1 (0.61) MAPTKDRDHODHTRPV1NPC1
SCHEMBL13237113 0.77 MAPT (0.67) MAPTKDRDHODHTRPV1NPC1

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 2 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 disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US 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 MAPT 4673/4885KDR 3463/4885DHODH 1292/4885

“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.