SCHEMBL1282397

SCHEMBL1282397

COc1cc(C(C(c2ccccc2)[N+](=O)[O-])N(C(=O)O)C(C)(C)C)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.32
GRM4 Q14833 1/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1282541 1.00 MEN1 (0.36) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL16239369 0.76 ALDH1A1 (0.41) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL16239372 0.76 ALDH1A1 (0.41) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL16239371 0.76 ALDH1A1 (0.41) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL1709086 0.76 CTSK (0.38) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL16254012 0.76 CTSK (0.38) MEN1KMT2AMAPTHPGDAKR1C3
SCHEMBL16239075 0.65 CYP19A1 (0.39) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL16239076 0.65 LDHA (0.40) MEN1KMT2AMAPTHPGDCYP2C19
SCHEMBL9134017 0.63 AOC3 (0.41) HPGDCYP2D6ALDH1A1LMNAKDM4E
SCHEMBL1699073 0.62 CTSK (0.39) MEN1KMT2AMAPTHTT

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-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS VANDERBILT UNIVERSITY 2012-04-12 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-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS NUTF2, MDM2, CIAPIN1 MEN1 81/4885KMT2A 3058/4885MAPT 2387/4885

“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.