SCHEMBL23780333

SCHEMBL23780333

CC(C)Sc1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GSTO1 P78417 1/20 0.43
KDM1A O60341 1/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
KIF11 P52732 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL10094542 0.77 LTA4H (0.52) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL27989059 0.75 LTA4H (0.54) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL16217969 0.75 LTA4H (0.54) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL2406442 0.74 POLB (0.59) LTA4HL3MBTL1KDM4EMEN1KMT2A
Bromide SCHEMBL16209964 0.73 LTA4H (0.52) LTA4HL3MBTL1KDM4EMEN1KMT2A
Bromide SCHEMBL27989046 0.73 LTA4H (0.52) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL474291 0.73 LTA4H (0.82) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL21479710 0.73 KDM4E (0.68) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL25140728 0.73 LTA4H (0.58) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL12862861 0.72 KDM4E (0.56) LTA4HL3MBTL1KDM4EMEN1KMT2A

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-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS BANTAM PHARMACEUTICAL LLC (US) 2021-09-09 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-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS TP53, MKI67, VHL LTA4H 3037/4885L3MBTL1 3603/4885KDM4E 2356/4885

“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.