SCHEMBL4586774

SCHEMBL4586774

O=C(O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
PTPRC P08575 3/20 0.59
S100A4 P26447 2/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
CES1 P23141 1/20 0.59
HSP90AA1 P07900 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ERO1A Q96HE7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7814726 0.91 POLB (0.52) POLBALDH1A1MAPTLMNAPTPRC
SCHEMBL503711 0.89 HSP90AA1 (0.55) POLBALDH1A1MAPTLMNAPTPRC
SCHEMBL4585368 0.88 PTPRC (0.57) POLBALDH1A1MAPTLMNAPTPRC
SCHEMBL4586700 0.84 PTPRC (0.54) POLBALDH1A1MAPTLMNAPTPRC
SCHEMBL4586255 0.80 PTPRC (0.51) ALDH1A1MAPTPTPRCS100A4BCHE
SCHEMBL28315490 0.78 PTPRC (0.64) ALDH1A1MAPTLMNAPTPRCS100A4
SCHEMBL28264261 0.78 PTPRC (0.64) ALDH1A1MAPTLMNAPTPRCS100A4
SCHEMBL10492712 0.78 POLB (0.70) POLBALDH1A1MAPTLMNAPTPRC
SCHEMBL5707981 0.77 PTPRC (0.56) ALDH1A1MAPTPTPRCS100A4BCHE
SCHEMBL581124 0.77 ALDH1A1 (1.00) POLBALDH1A1MAPTLMNAMEN1

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 5 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
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 POLB 1084/4885ALDH1A1 1418/4885MAPT 3946/4885

“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.