SCHEMBL2398549

SCHEMBL2398549

COc1ccc2sc(Br)nc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
TDP1 Q9NUW8 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
DYRK1A Q13627 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL2398385 0.84 KMT2A (0.49) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2399433 0.81 KDM4E (0.47) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2400147 0.81 KMT2A (0.46) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2402255 0.77 MEN1 (0.51) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL14776689 0.77 MAPT (0.41) KMT2AMEN1TDP1KDM4EMAPT
SCHEMBL12318432 0.75 MEN1 (0.37) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2400631 0.73 MEN1 (0.54) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL1179747 0.73 TDP1 (0.62) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL29396391 0.73 TDP1 (0.62) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL3553951 0.72 POLB (0.42) KMT2AMEN1TDP1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP disclosed
EP-1831209-A2 CDC25 PHOSPHATASE INHIBITORS Société de Conseils de Recherches et d'Applications Scientifiques SAS (S.C.R.A.S) (FR) 2007-09-12 EP disclosed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B KMT2A 2264/4885MEN1 1555/4885TDP1 666/4885

“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.