SCHEMBL6958263

SCHEMBL6958263

COc1cccc2oc(C(C)=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
TLR4 O00206 1/20 0.44
XDH P47989 1/20 0.44
NLRP3 Q96P20 1/20 0.44
F2RL3 Q96RI0 2/20 0.44
EDNRA P25101 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK1A Q13627 1/20 0.43
CYP2A6 P11509 1/20 0.41
NQO2 P16083 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL2209133 0.76 ALDH1A1 (0.38) LMNATLR4XDHNLRP3F2RL3
SCHEMBL2209138 0.76 ALDH1A1 (0.38) LMNATLR4XDHNLRP3F2RL3
SCHEMBL9768577 0.75 NQO2 (0.46) LMNAF2RL3EDNRAALDH1A1HPGD
SCHEMBL20931281 0.75 ELANE (0.49) LMNAF2RL3EDNRAALDH1A1HPGD
SCHEMBL20818979 0.75 EDNRA (0.43) LMNARECQLF2RL3EDNRAALDH1A1
SCHEMBL5040838 0.75 NPC1 (0.44) F2RL3EDNRAALDH1A1HPGDKMT2A
SCHEMBL6612724 0.74 TDP1 (0.51) LMNAF2RL3ALDH1A1HPGDKMT2A
SCHEMBL5036483 0.73 MCHR1 (0.50) LMNAF2RL3ALDH1A1HPGDKMT2A
SCHEMBL10012992 0.73 NQO2 (0.44) LMNAF2RL3ALDH1A1HPGDKMT2A
SCHEMBL30698496 0.73 ALDH1A1 (0.51) LMNAF2RL3ALDH1A1HPGDKMT2A

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
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A LMNA 3105/4885RECQL 2579/4885TLR4 2119/4885

“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.