SCHEMBL4586255

SCHEMBL4586255

O=C(O)c1ccc([N+](=O)[O-])c2c1C(=O)c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.51
S100A4 P26447 2/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
CES2 O00748 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
GPR35 Q9HC97 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 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
SCHEMBL4585399 0.88 PTPRC (0.50) PTPRCS100A4ALDH1A1CYP3A4TDP1
SCHEMBL4606460 0.85 PTPRC (0.47) PTPRCS100A4ALDH1A1TDP1BCHE
SCHEMBL503711 0.80 HSP90AA1 (0.55) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL4586774 0.80 POLB (0.62) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL28643490 0.79 TSHR (0.59) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL5707981 0.79 PTPRC (0.56) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL7824186 0.76 ALDH1A1 (0.68) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL10605676 0.76 ALDH1A1 (0.68) PTPRCS100A4ALDH1A1CYP3A4ALOX15
SCHEMBL13743283 0.75 HSP90AA1 (0.53) ALDH1A1CYP3A4ALOX15TDP1CES2
SCHEMBL130412 0.74 DTYMK (0.64) ALDH1A1CYP3A4ALOX15TDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 US disclosed
EP-1804786-A4 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-01-02 EP disclosed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 PTPRC 2666/4885S100A4 1903/4885ALDH1A1 1418/4885

“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.