SCHEMBL8302706

SCHEMBL8302706

Cc1cc2c(cc1[N+](=O)[O-])NC(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 5/20 0.43
RAB9A P51151 1/20 0.43
AKR1B1 P15121 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL8307636 0.94 MMP12 (0.51) MMP12PDE3BPDE3ATP53MAPT
SCHEMBL8304719 0.83 MMP12 (0.46) MMP12PDE3BPDE3ATP53MAPT
SCHEMBL8309098 0.83 PARP1 (0.52) MMP12TP53MAPTTHRBALDH1A1
SCHEMBL8917238 0.82 NR3C2 (0.44) MMP12TP53MAPTTHRBALDH1A1
SCHEMBL30090142 0.82 NR3C2 (0.44) MMP12TP53MAPTTHRBALDH1A1
SCHEMBL4099810 0.82 MMP12 (0.44) MMP12TP53MAPTALDH1A1POLB
SCHEMBL2953764 0.81 MMP12 (0.64) MMP12PDE3BPDE3ATP53MAPT
SCHEMBL8306846 0.80 PARP1 (0.46) MMP12TP53MAPTTHRBALDH1A1
SCHEMBL303131 0.79 MMP12 (0.44) MMP12TP53MAPTTHRBALDH1A1
SCHEMBL10505987 0.79 RAB9A (0.46) MMP12TP53MAPTTHRBALDH1A1

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-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
US-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 US 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-20140206663-A1 TRIAZINONE COMPOUNDS THPO, IL5, CYP11B2 MMP12 1492/4885PDE3B 803/4885PDE3A 1202/4885

“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.