SCHEMBL12845650

SCHEMBL12845650

BCCC1(CCBr)C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PIM1 P11309 2/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LMNA P02545 3/20 0.32
PKM P14618 1/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TGM2 P21980 1/20 0.31
CES1 P23141 1/20 0.31
GAA P10253 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL1234098 0.93 CMA1 (0.41) MEN1KMT2APIM1CMA1AHR
SCHEMBL12060509 0.89 LMNA (0.40) MEN1KMT2ALMNAPKMPOLB
SCHEMBL2257097 0.80 LMNA (0.44) MEN1KMT2ACMA1AHRLMNA
SCHEMBL1233337 0.79 MAPK14 (0.44) MEN1KMT2APIM1CMA1AHR
SCHEMBL12713619 0.75 PIM1 (0.45) MEN1KMT2APIM1CMA1AHR
SCHEMBL31079959 0.75 MEN1 (0.45) MEN1KMT2APIM1CMA1AHR
SCHEMBL2242471 0.75 MEN1 (0.45) MEN1KMT2APIM1CMA1AHR
SCHEMBL6006392 0.70 PGR (0.37)
SCHEMBL16412396 0.70 CMA1 (0.46) MEN1KMT2APIM1CMA1AHR
SCHEMBL30462531 0.70 CMA1 (0.46) MEN1KMT2APIM1CMA1AHR

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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MEN1 4047/4885KMT2A 4461/4885PIM1 823/4885

“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.