SCHEMBL5619680

SCHEMBL5619680

O=C(NOC(F)(F)c1cccnc1)c1cccc2oc3ccc(OC(F)(F)F)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 8/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PIM1 P11309 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDR P35968 1/20 0.35
NAMPT P43490 3/20 0.35
GRM4 Q14833 1/20 0.34

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
SCHEMBL5022681 0.86 ALDH1A1 (0.40) MAPTNPC1RAB9A
SCHEMBL6494766 0.71 PDE4D (0.34) MAPTNPC1RAB9A
SCHEMBL5025294 0.71 TLR7 (0.39) MAPTCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5619686 0.69 NPC1 (0.48) MAPTNPC1RAB9AABL1OPRM1
SCHEMBL5026497 0.69 PDE4D (0.52) MAPTNPC1RAB9AABL1OPRM1
SCHEMBL5025324 0.66 GAA (0.39) MAPTNPC1RAB9A
SCHEMBL5018082 0.66 NPC1 (0.44) MAPTNPC1RAB9A
SCHEMBL22247549 0.61 PIM1 (0.47) MAPTNPC1RAB9ACSNK2A2CSNK2B
SCHEMBL5023258 0.60 KDM4E (0.40) MAPTNPC1RAB9AKCNH2
SCHEMBL5018010 0.60 MAP2K1 (0.37) MAPTNPC1RAB9A

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-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 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-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 MAPT 783/4885NPC1 853/4885RAB9A 3448/4885

“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.