SCHEMBL1256289

SCHEMBL1256289

CC(C)(CO)c1cc(NC(=O)Cc2ccc(Br)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.51
FLT3 P36888 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RET P07949 5/20 0.48
ROCK1 Q13464 1/20 0.48
KDM4E B2RXH2 2/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.43
HPGD P15428 1/20 0.43
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL1256800 0.89 FLT3 (0.62) GAPDHFLT3NPC1RAB9ARET
SCHEMBL1256214 0.84 GAPDH (0.50) GAPDHFLT3NPC1RAB9ARET
SCHEMBL1255215 0.80 RET (0.52) GAPDHFLT3RETROCK1EGFR
SCHEMBL1257052 0.80 CNR2 (0.46) GAPDHNPC1RAB9AALDH1A1KMT2A
SCHEMBL9893113 0.79 EGFR (0.56) FLT3NPC1RAB9AEGFRALDH1A1
SCHEMBL1255211 0.77 RET (0.49) GAPDHFLT3RETROCK1EGFR
SCHEMBL13199933 0.77 GAPDH (0.71) GAPDHFLT3NPC1RAB9ARET
SCHEMBL13200780 0.77 FLT3 (0.63) GAPDHFLT3NPC1RAB9ARET
SCHEMBL9978507 0.76 FLT3 (0.62) GAPDHFLT3NPC1RAB9ARET
SCHEMBL9893035 0.76 EGFR (0.51) NPC1RAB9AEGFRMEN1KMT2A

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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R GAPDH 1316/4885FLT3 1/4885NPC1 1964/4885

“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.