SCHEMBL4592976

SCHEMBL4592976

O=C(Nc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])c2c1C(=O)c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 10/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 4/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERO1A Q96HE7 1/20 0.37

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
SCHEMBL4593655 0.88 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4593742 0.73 MAPT (0.38) MAPT
SCHEMBL4585587 0.73 KMT2A (0.42) MAPTMEN1KMT2ARAB9ARORC
SCHEMBL4592950 0.73 MAPT (0.46) ALDH1A1MAPTHTT
SCHEMBL4586255 0.71 PTPRC (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4585399 0.70 PTPRC (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4606460 0.70 PTPRC (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14195927 0.69 MAPT (0.36) MAPT
SCHEMBL8810711 0.66 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30949524 0.64 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA

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 claimed
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 claimed
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 claimed
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 claimed
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

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 ALDH1A1 1418/4885MAPT 3946/4885MEN1 4078/4885

“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.