SCHEMBL4586698

SCHEMBL4586698

CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.69
ALDH1A1 P00352 8/20 0.64
KDM4E B2RXH2 6/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 3/20 0.60
TDP1 Q9NUW8 1/20 0.58
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP5 P51878 1/20 0.56
SIGMAR1 Q99720 2/20 0.56
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL12511057 0.92 ACHE (0.74) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL310485 0.87 ACHE (0.53) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL23369522 0.85 ACHE (0.52) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL2372693 0.85 ACHE (0.70) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL14351628 0.84 ACHE (0.68) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL14583968 0.84 ACHE (0.64) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27749320 0.83 MC4R (0.70) MEN1POLBKMT2ASIGMAR1HTT
SCHEMBL27397886 0.83 ACHE (0.67) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27814819 0.82 ACHE (0.66) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL9621558 0.81 ACHE (0.65) ACHEALDH1A1KDM4EMEN1POLB

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 ACHE 4739/4885ALDH1A1 1418/4885KDM4E 1612/4885

“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.