SCHEMBL6803304

SCHEMBL6803304

O=C(c1cccc2ccccc12)N(O)c1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
PLK1 P53350 1/20 0.41
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTK2B Q14289 1/20 0.37
POLB P06746 3/20 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
SCHEMBL3808036 0.84 NR4A1 (0.45) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480890 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480896 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6803306 0.77 NR4A1 (0.47) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27813032 0.75 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2230795 0.75 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6796747 0.74 HPGD (0.40) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL10995822 0.72 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL1127556 0.71 CDC25B (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10407111 0.70 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8

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 12 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
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 (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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NR4A1 263/4885NR4A2 777/4885NR4A3 974/4885

“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.