SCHEMBL6796308

SCHEMBL6796308

CC(=O)Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ABCB1 P08183 3/20 0.61
▸ CNR1 P21554 1/20 0.60
▸ PLG P00747 1/20 0.59
▸ PLAU P00749 1/20 0.59
▸ PLAT P00750 1/20 0.59
▸ ABCC1 P33527 1/20 0.59
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ POLB P06746 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ DDX3X O00571 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52

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
Dinitrophenylene SCHEMBL27738113 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AMEN1POLBHTT
SCHEMBL1248559 0.83 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1POLBHTT
SCHEMBL27348049 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ABCB1CNR1PLGPLAU
SCHEMBL27348050 0.81 PKM (0.61) SMN1; SMN2ABCB1CNR1ABCC1KMT2A
SCHEMBL6811011 0.80 SMN1; SMN2 (0.81) SMN1; SMN2KMT2AMEN1POLBHTT
SCHEMBL14861436 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ABCB1KMT2AMEN1POLB
SCHEMBL8577619 0.79 SMN1; SMN2 (0.70) SMN1; SMN2CNR1KMT2AMEN1HTT
SCHEMBL28775114 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1POLBHTT
SCHEMBL13192698 0.79 MAPT (0.69) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL642700 0.79 KMT2A (0.81) SMN1; SMN2KMT2AMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 — — CN 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 SMN1; SMN2 3337/4885ABCB1 334/4885CNR1 4/4885

“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.

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