SCHEMBL2680671

SCHEMBL2680671

O=C(O)c1cc([N+](=O)[O-])c(Oc2ccc(F)cc2F)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.56
USP10 Q14694 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP7 Q93009 1/20 0.46
USP47 Q96K76 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
P2RY14 Q15391 1/20 0.41
RAB9A P51151 1/20 0.39
EIF4E P06730 1/20 0.39
KMT2A Q03164 1/20 0.38
ESR2 Q92731 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
SCHEMBL2681396 0.89 HSPB1 (0.52) HSPB1USP10ATMTDP1USP7
SCHEMBL10956911 0.77 HSPB1 (0.63) HSPB1ATMTDP1L3MBTL1EIF4E
SCHEMBL9658643 0.76 HSPB1 (0.58) HSPB1ATMTDP1RAB9A
SCHEMBL15067230 0.76 HSPB1 (0.54) HSPB1ATMTDP1L3MBTL1EIF4E
SCHEMBL3888921 0.75 TDP1 (0.60) HSPB1ATMTDP1KMT2A
SCHEMBL2680882 0.74 USP7 (0.80) HSPB1USP10ATMTDP1USP7
SCHEMBL31522185 0.74 HSPB1 (0.70) HSPB1ATMTDP1L3MBTL1KMT2A
SCHEMBL9655283 0.73 HSPB1 (0.57) HSPB1ATMTDP1L3MBTL1
SCHEMBL1341961 0.73 HSPB1 (0.75) HSPB1ATMTDP1L3MBTL1RAB9A
SCHEMBL2682369 0.72 USP7 (0.46) USP10USP7USP47KMT2A

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 3 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 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 HSPB1 349/4885USP10 363/4885ATM 2766/4885

“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.