SCHEMBL12782425

SCHEMBL12782425

COC(=O)C(C)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
PDK1 Q15118 1/20 0.42
PKM P14618 3/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR3 P49019 1/20 0.39
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10779684 0.89 ALDH1A1 (0.51) ALDH1A1ABCB1ABCC1KMT2AMEN1
SCHEMBL395221 0.87 ALDH1A1 (0.64) ALDH1A1ABCB1ABCC1PDK1PKM
SCHEMBL30558592 0.87 ALDH1A1 (0.64) ALDH1A1ABCB1ABCC1PDK1PKM
SCHEMBL2129944 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL21773689 0.84 ALDH1A1 (0.53) ALDH1A1ABCB1ABCC1KMT2AMEN1
SCHEMBL1613117 0.84 PDK1 (0.44) ALDH1A1ABCB1ABCC1KMT2AMEN1
SCHEMBL1613121 0.84 PDK1 (0.44) ALDH1A1ABCB1ABCC1KMT2AMEN1
SCHEMBL25952873 0.83 ALDH1A1 (0.56) ALDH1A1ABCB1ABCC1PDK1PKM
SCHEMBL15075888 0.83 ALDH1A1 (0.56) ALDH1A1ABCB1ABCC1PDK1PKM
SCHEMBL27952324 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNAPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
US-8450341-B2 Substituted indolin-2-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2013-05-28 US disclosed
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
US-20110046097-A1 SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-02-24 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 (2 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-20110046097-A1 SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAPKAPK2, MAPK7 ALDH1A1 2374/4885ABCB1 1779/4885ABCC1 3120/4885
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 ALDH1A1 1423/4885ABCB1 1538/4885ABCC1 2114/4885

“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.