SCHEMBL13064451

SCHEMBL13064451

CCOc1nc(C(F)(F)F)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
GRM5 P41594 1/20 0.35
ALPL P05186 3/20 0.33
ALPI P09923 2/20 0.33
CTSK P43235 1/20 0.33
POLB P06746 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GAA P10253 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS1 P23219 1/20 0.30

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
SCHEMBL13718530 0.83 HTR1A (0.42) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL14180512 0.79 MEN1 (0.44) MEN1KMT2ALMNAALPLALPI
SCHEMBL13020073 0.76 MEN1 (0.36) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL2628982 0.72
Bromide SCHEMBL28091559 0.71 POLB (0.45) MEN1KMT2APOLBHDAC1HDAC6
SCHEMBL8010097 0.71
SCHEMBL743307 0.71
SCHEMBL13104068 0.71 LMNA (0.38) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL24676677 0.69 POLB (0.46) MEN1KMT2ALMNAPOLBGAA
SCHEMBL1990265 0.69 LMNA (0.37) MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 MEN1 2560/4885KMT2A 4054/4885LMNA 1536/4885

“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.