SCHEMBL2680933

SCHEMBL2680933

O=C(NCc1ccccc1)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 7/20 0.48
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 5/20 0.48
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
MAOB P27338 3/20 0.47
NPC1 O15118 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
USP47 Q96K76 1/20 0.44
NAMPT P43490 1/20 0.44
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL2681331 0.85 KMT2A (0.53) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2680561 0.81 MAPT (0.52) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL3714800 0.81 ALOX5 (0.42) L3MBTL1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2681621 0.78 USP7 (0.67) USP47USP7
SCHEMBL2681188 0.78 MAPT (0.42) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2680049 0.75 USP7 (0.54) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL3805689 0.74 MAPT (0.43) L3MBTL1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3714799 0.74 MAPT (0.40) L3MBTL1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2681636 0.73 USP7 (0.63) USP47USP7
SCHEMBL2680859 0.72 USP7 (0.61) USP47USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US claimed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US claimed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO claimed
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE L3MBTL1 2229/4885KMT2A 4035/4885MAPT 3344/4885

“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.