SCHEMBL2681396

SCHEMBL2681396

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 5/20 0.52
▸ USP10 Q14694 2/20 0.52
▸ USP7 Q93009 1/20 0.46
▸ USP47 Q96K76 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ VCAM1 P19320 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL2680671 0.89 HSPB1 (0.56) HSPB1USP10USP7USP47L3MBTL1
SCHEMBL1364828 0.80 USP10 (0.54) USP10L3MBTL1TDP1VCAM1ALDH1A1
SCHEMBL2680991 0.78 TDP1 (0.63) USP10USP7USP47TDP1ALDH1A1
SCHEMBL15770914 0.78 HSPB1 (0.51) HSPB1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL2681306 0.78 USP7 (0.77) USP10USP7USP47ATMTDP1
SCHEMBL4851442 0.77 TDP1 (0.65) HSPB1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL21436430 0.77 USP10 (0.65) USP10USP47TDP1VCAM1ALDH1A1
SCHEMBL31371566 0.76 HSPB1 (0.52) HSPB1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL5261995 0.74 HSPB1 (0.56) HSPB1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL15067957 0.74 HSPB1 (0.47) HSPB1L3MBTL1ATMTDP1ALDH1A1

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 363/4885USP7 437/4885

“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.

Send feedback