SCHEMBL5550282

SCHEMBL5550282

CC1(C)OB(c2ccc(Nc3nc4cc(F)ccc4o3)c(F)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
EGFR P00533 2/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
C1R P00736 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL4826876 0.88 NPC1 (0.57) NPC1RAB9ALPLLIPGEGFR
SCHEMBL1335513 0.78 KDR (0.49) NPC1RAB9AIDO1TDO2LPL
SCHEMBL3817655 0.76 NPC1 (0.49) NPC1RAB9AEGFRFAAHKCNH2
SCHEMBL3478062 0.75 NPC1 (0.54) NPC1RAB9ALPLLIPGEGFR
SCHEMBL5801742 0.72 MAPT (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4820387 0.72 MAPT (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11380542 0.72 NPC1 (0.73) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4828199 0.71 KCNH2 (0.46) EGFRKCNH2RAF1BRAFMAPT
SCHEMBL19495396 0.71 LPL (0.49) IDO1TDO2LPLLIPGEGFR
SCHEMBL13370383 0.71 POLB (0.35) NPC1RAB9ALPLLIPGEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 WO 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 NPC1 1899/4885RAB9A 889/4885IDO1 3881/4885

“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.