SCHEMBL4593578

SCHEMBL4593578

O=C(Nc1ccccc1-n1cccn1)c1cccc2c1OCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 1/20 0.40
PTGES O14684 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
GPR6 P46095 1/20 0.39
GAA P10253 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 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
SCHEMBL4585382 0.77 NPC1 (0.45) PARP1ALDH1A1SMN1; SMN2CHEK1TNKS
SCHEMBL4586289 0.74 NPC1 (0.42) PARP1ALDH1A1SMN1; SMN2CHEK1TNKS
SCHEMBL4592950 0.73 MAPT (0.46) ALDH1A1MAPT
SCHEMBL4593468 0.71 NPC1 (0.41) PARP1ALDH1A1SMN1; SMN2CHEK1TNKS
SCHEMBL14880539 0.69 PARP1 (0.68) PARP1SMN1; SMN2GAAHCRTR1HCRTR2
SCHEMBL7980334 0.68 PARP1 (0.66) PARP1GAAHCRTR1HCRTR2
SCHEMBL7125520 0.68 PYGL (0.62) PARP1KMT2A
SCHEMBL22234597 0.68 PARP1 (0.53) PARP1KMT2AHCRTR1HCRTR2MAPT
SCHEMBL5234144 0.67 CNR1 (0.72) CNR1CNR2CYP2C9
SCHEMBL4593742 0.67 MAPT (0.38) MAPT

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 PARP1 44/4885ALDH1A1 1418/4885SMN1; SMN2 3611/4885

“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.