SCHEMBL3551338

SCHEMBL3551338

O=C(O)c1cc(N2CCCCC2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.75
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 3/20 0.67
POLB P06746 2/20 0.67
HPGD P15428 2/20 0.67
ALOX12 P18054 1/20 0.67
DHODH Q02127 2/20 0.64
GAA P10253 2/20 0.62
ACHE P22303 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
HIF1A Q16665 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
PDE10A Q9Y233 1/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL28455263 0.86 KDM4E (0.75) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL16832477 0.86 PKM (1.00) PKMKDM4EALDH1A1HPGDDHODH
SCHEMBL28462273 0.86 KDM4E (0.73) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL2384917 0.85 ALDH1A1 (0.63) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL30604110 0.83 PKM (0.68) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL17082435 0.83 PKM (0.60) PKMKDM4EALDH1A1POLBHPGD
Ethane SCHEMBL6099926 0.82 KDM4E (0.75) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL14899290 0.81 PKM (0.53) PKMKDM4EALDH1A1POLBHPGD
Ethane SCHEMBL6097475 0.80 KDM4E (0.77) PKMKDM4EALDH1A1POLBHPGD
SCHEMBL9493746 0.79 KDM4E (0.66) PKMKDM4EALDH1A1POLBHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-7432289-B2 5-Acylamino-1,1′-biphenyl-4-carboxamide derivatives and their use as P38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-10-07 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN disclosed
US-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1435934-A1 5'-ACYLAMINO-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032971-A1 5’-ACYLAMINO-1,1’-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 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 (2 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-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP3K1, MAPK7 PKM 560/4885KDM4E 1140/4885ALDH1A1 531/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 PKM 2611/4885KDM4E 3419/4885ALDH1A1 3050/4885

“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.