SCHEMBL4606460

SCHEMBL4606460

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CHEK1 O14757 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.40
MITF O75030 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4586255 0.85 PTPRC (0.51) PTPRCS100A4ALDH1A1BCHEACHE
SCHEMBL4585399 0.84 PTPRC (0.50) PTPRCS100A4ALDH1A1BCHEACHE
SCHEMBL9182723 0.81 PTPRC (0.50) PTPRCS100A4HTTALDH1A1BCHE
SCHEMBL4586700 0.81 PTPRC (0.54) PTPRCS100A4ALDH1A1BCHEACHE
SCHEMBL6960199 0.77 KDM4E (0.55) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9068677 0.75 ALDH1A1 (0.54) PTPRCS100A4HTTALDH1A1KDM4E
SCHEMBL30203403 0.74 ALDH1A1 (0.56) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1403472 0.74 ALDH1A1 (0.56) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL656472 0.73 HTT (0.60) HTTALDH1A1KDM4EMEN1KMT2A
Methane SCHEMBL27588822 0.72 ALDH1A1 (0.54) HTTALDH1A1KDM4EMEN1KMT2A

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 1903/4885HTT 3535/4885

“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.