SCHEMBL13902003

SCHEMBL13902003

COc1ccccc1C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 5/20 0.51
RXFP1 Q9HBX9 2/20 0.51
KMT2A Q03164 2/20 0.48
NCS1 P62166 1/20 0.47
S1PR1 P21453 1/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
KCNMA1 Q12791 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL13902006 0.88 L3MBTL1 (0.60) MAPTTSHRMAPK1GAAHSD17B10
SCHEMBL13902002 0.80 NPC1 (0.48) NPC1MAPTRAB9AKDM4ETP53
SCHEMBL13902011 0.74 CACNA1B (0.53) NPC1MAPTGAARAB9ARXFP1
SCHEMBL2979461 0.73 CFTR (0.56)
SCHEMBL2753999 0.72 MEN1 (0.69) NPC1MAPTTSHRMAPK1GAA
SCHEMBL6718814 0.72 TSHR (0.69) NPC1MAPTTSHRMAPK1GAA
SCHEMBL12368122 0.72 KMT2A (0.79) NPC1MAPTTSHRMAPK1GAA
SCHEMBL1084583 0.71 RXFP1 (0.65) MAPTTSHRMAPK1GAAHSD17B10
SCHEMBL27848838 0.71 KMT2A (0.77) NPC1MAPTTSHRMAPK1GAA
SCHEMBL13902009 0.71 GAA (0.41) NPC1GAARAB9AKMT2A

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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NPC1 795/4885MAPT 3755/4885TSHR 4278/4885

“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.