SCHEMBL4585579

SCHEMBL4585579

O=C(Nc1ccccc1N1CCOCC1)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 1/20 0.56
SCN9A Q15858 1/20 0.55
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.53
EPHX2 P34913 1/20 0.53
HPGD P15428 1/20 0.53
MAPK10 P53779 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL4586512 0.88 NPSR1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL328566 0.80 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL4593847 0.80 MAPT (0.51) ALDH1A1MAPTHTTLMNA
SCHEMBL4586925 0.76 MAPT (0.56) ALDH1A1MAPTHTTLMNA
SCHEMBL28412381 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL4592950 0.75 MAPT (0.46) ALDH1A1MAPTHTT
SCHEMBL4878832 0.75 HTT (0.61) ALDH1A1MAPTNPC1HTTLMNA
SCHEMBL20910885 0.74 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL4585545 0.74 CYP3A4 (0.49) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4585595 0.74 HTT (0.61) ALDH1A1MAPTHTTLMNA

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 8 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
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 ALDH1A1 1418/4885MEN1 4078/4885KMT2A 2988/4885

“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.