SCHEMBL13902002

SCHEMBL13902002

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HDAC2 Q92769 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
P2RX1 P51575 1/20 0.46
PDPK1 O15530 1/20 0.45
SCD O00767 1/20 0.45
PTGS1 P23219 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL13902011 0.88 CACNA1B (0.53) NPC1RAB9AHDAC2ALDH1A1KDM4E
SCHEMBL13902003 0.80 NPC1 (0.53) NPC1RAB9ATP53KDM4EMAPT
SCHEMBL13902006 0.77 L3MBTL1 (0.60) RAB9AALDH1A1TP53KDM4EMAPT
SCHEMBL13902009 0.76 GAA (0.41) NPC1RAB9AALDH1A1
SCHEMBL2979461 0.76 CFTR (0.56) ADORA3
SCHEMBL30008296 0.70 POLB (0.67) NPC1RAB9AHDAC2ALDH1A1MDM4
SCHEMBL6170575 0.70 POLB (0.67) NPC1RAB9AHDAC2ALDH1A1MDM4
SCHEMBL1968036 0.70 NPC1 (0.62) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL18628852 0.69 MAPT (0.49) NPC1RAB9AHDAC2MDM4TP53
SCHEMBL1110180 0.68 MDM4 (0.73) NPC1RAB9AHDAC2MDM4TP53

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-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

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 795/4885RAB9A 1496/4885HDAC2 1204/4885

“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.