SCHEMBL10252529

SCHEMBL10252529

CC(C)c1nc(Cc2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
PTPRB P23467 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 4/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
POLB P06746 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SRD5A2 P31213 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
SCHEMBL16018753 0.83 SLC6A3 (0.43) SLC6A3HDAC1HDAC6ALDH1A1DRD2
SCHEMBL10284720 0.81 LTA4H (0.49) LTA4HHDAC1HDAC6ALDH1A1TP53
SCHEMBL13604293 0.80 CYP17A1 (0.44) SLC6A3DRD2HTR2AHRH1
SCHEMBL10248929 0.80 SLC6A3 (0.43) SLC6A3ALDH1A1DRD2HTR2AHRH1
SCHEMBL10249190 0.79 SLC6A3 (0.56) LTA4HSLC6A3HDAC1HDAC6ALDH1A1
SCHEMBL10252493 0.77 LTA4H (0.48) LTA4HSLC6A3ALDH1A1LMNAPOLB
SCHEMBL10248949 0.76 LOXL2 (0.42) SLC6A3HDAC1HDAC6DRD2HTR2A
SCHEMBL10094542 0.75 LTA4H (0.52) LTA4HHDAC1HDAC6ALDH1A1POLB
SCHEMBL10248870 0.75 SLC6A3 (0.43) SLC6A3ALDH1A1DRD2HTR2AHRH1
SCHEMBL13542753 0.74 SLC6A3 (0.43) SLC6A3ALDH1A1DRD2HTR2AHRH1

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-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A LTA4H 765/4885SLC6A3 227/4885HDAC1 621/4885

“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.