SCHEMBL6796747

SCHEMBL6796747

O=C(c1ccccc1)N(O)c1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CES1 P23141 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CES2 O00748 2/20 0.37
TSHR P16473 2/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 1/20 0.36
DEPTOR Q8TB45 1/20 0.35
POLB P06746 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7647045 0.83 CES1 (0.38) HPGDKDM4ECES1ALDH1A1CES2
SCHEMBL4149882 0.80 CES1 (0.35) HPGDKDM4ECES1ALDH1A1CES2
SCHEMBL482524 0.80 KMT2A (0.45) HPGDKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL4289334 0.80 TSHR (0.38) HPGDKDM4ECES1ALDH1A1CES2
SCHEMBL6797312 0.79 NR3C2 (0.44) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL11690273 0.76 HSD11B1 (0.39) HPGDCES1ALDH1A1CES2TSHR
SCHEMBL6795525 0.75 TDP1 (0.61) TDP1L3MBTL1SMN1; SMN2RAB9APOLB
SCHEMBL3759727 0.75 CES2 (0.46) HPGDKDM4ECES1ALDH1A1CES2
SCHEMBL6793422 0.75 ALDH1A1 (0.38) HPGDALDH1A1TSHRTDP1L3MBTL1
SCHEMBL6803304 0.74 NR4A1 (0.46) HPGDKDM4EALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (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-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis TYMP, LPL, PLAT HPGD 334/4885KDM4E 2919/4885CES1 166/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 HPGD 2360/4885KDM4E 2663/4885CES1 260/4885

“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.