SCHEMBL15075566

SCHEMBL15075566

O=C(N1CCOCC1)C(F)(F)Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RAC1 P63000 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15056865 0.89 GAA (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17875095 0.88 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDMAPTALDH1A1
SCHEMBL17875097 0.77 GAA (0.43) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL15056851 0.73 KMT2A (0.36) SMN1; SMN2LMNAHPGDMAPTALDH1A1
SCHEMBL16406345 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL15056545 0.70 MAPT (0.35) SMN1; SMN2LMNAHPGDMAPTALDH1A1
SCHEMBL518729 0.69 MAPT (0.76) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL20598781 0.68 ALDH1A1 (0.49) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL30501358 0.68 ALDH1A1 (0.49) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL16982491 0.68 ALDH1A1 (0.72) SMN1; SMN2LMNAHPGDMAPTALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518045-B2 Process for manufacturing benzoxazinones BASF SE (DE) 2016-12-13 — — US disclosed
US-9518045-B2 Process for manufacturing benzoxazinones BASF SE (DE) 2016-12-13 — — US disclosed
EP-2885281-B1 CARBAMAT-BENZOXAZINONES USEFUL FOR PREPARING TRIAZIN-BENZOXAZINONES BASF SE (DE) 2016-12-07 — — EP disclosed
US-9359312-B2 Process for manufacturing benzoxazinones BASF SE (DE) 2016-06-07 — — US disclosed
US-9359312-B2 Process for manufacturing benzoxazinones BASF SE (DE) 2016-06-07 — — US disclosed
US-9353070-B2 Carbamat-benzoxazinones BASF SE (DE) 2016-05-31 — — US disclosed
US-9353070-B2 Carbamat-benzoxazinones BASF SE (DE) 2016-05-31 — — US disclosed
US-20150299148-A1 CARBAMAT-BENZOXAZINONES BASF SE (DE) 2015-10-22 — — US disclosed
US-20150299148-A1 CARBAMAT-BENZOXAZINONES BASF SE (DE) 2015-10-22 — — US disclosed
US-20150218140-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES BASF SE (DE) 2015-08-06 — — US disclosed
US-9062012-B2 Process for manufacturing 4-substituted amino-benzoxazinones BASF SE (DE) 2015-06-23 — — US disclosed
US-9000152-B2 Process for manufacturing triazinon-benzoxazinones BASF SE (DE) 2015-04-07 — — US disclosed
US-9000152-B2 Process for manufacturing triazinon-benzoxazinones BASF SE (DE) 2015-04-07 — — US disclosed
US-20140357861-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES BASF SE (DE) 2014-12-04 — — US disclosed
US-20140357861-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES BASF SE (DE) 2014-12-04 — — US disclosed
US-20140316131-A1 PROCESS FOR MANUFACTURING TRIAZINON-BENZOXAZINONES BASF SE (DE) 2014-10-23 — — US disclosed
US-20140316131-A1 PROCESS FOR MANUFACTURING TRIAZINON-BENZOXAZINONES BASF SE (DE) 2014-10-23 — — US disclosed
WO-2013092858-A1 PROCESS FOR MANUFACTURING TRIAZINON-BENZOXAZINONES BASF SE (DE) 2013-06-27 — — WO disclosed
WO-2013092859-A1 PROCESS FOR MANUFACTURING 4-SUBSTITUTED AMINO-BENZOXAZINONES BASF SE (DE) 2013-06-27 — — WO disclosed
WO-2013092856-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES BASF SE (DE) 2013-06-27 — — 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 (4 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-20140357861-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES XDH, CYP4X1, CYP3A5 SMN1; SMN2 2784/4885LMNA 1232/4885HPGD 115/4885
US-20140316131-A1 PROCESS FOR MANUFACTURING TRIAZINON-BENZOXAZINONES CYP2B6, UGT1A6, UGT2B17 SMN1; SMN2 4603/4885LMNA 3362/4885HPGD 732/4885
US-20150299148-A1 CARBAMAT-BENZOXAZINONES CYP4X1, XDH, CBX6 SMN1; SMN2 3273/4885LMNA 1632/4885HPGD 434/4885
US-20150218140-A1 PROCESS FOR MANUFACTURING BENZOXAZINONES CYP4X1, CYP3A5, CYP2B6 SMN1; SMN2 3757/4885LMNA 1499/4885HPGD 300/4885

“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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