SCHEMBL6963540

SCHEMBL6963540

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2ocnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 5/20 0.46
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 4/20 0.40
HGFAC Q04756 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL6610918 0.80 MAPT (0.52) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL5795700 0.79 MAPT (0.56) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL6613477 0.77 MAPK1 (0.47) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL20837398 0.74 LMNA (0.49) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL74991 0.74 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL7253960 0.73 PDE4B (0.52) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL20837137 0.73 NNMT (0.40) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL5798828 0.72 MAPT (0.56) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL75121 0.72 MAPT (0.45) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL6168793 0.72 PDE4B (0.46) MAPTALDH1A1KDM4EKMT2AHPGD

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 MAPT 4233/4885ALDH1A1 202/4885KDM4E 2000/4885

“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.