SCHEMBL994810

SCHEMBL994810

CCOC(=O)c1noc(C)c1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 11/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 3/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
GLA P06280 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL3032322 0.89 ALDH1A1 (0.53) HTTALDH1A1LMNAGAANPSR1
SCHEMBL5209802 0.87 ALDH1A1 (0.52) HTTALDH1A1MAPTLMNANPSR1
SCHEMBL4059370 0.87 ALDH1A1 (0.51) HTTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3036700 0.87 HTT (0.56) HTTALDH1A1POLBTSHRNPSR1
SCHEMBL3033421 0.86 HTT (0.58) HTTALDH1A1MAPTLMNAGAA
SCHEMBL3032698 0.86 ALDH1A1 (0.54) HTTALDH1A1MAPTLMNAGAA
SCHEMBL3038647 0.85 ALDH1A1 (0.49) HTTALDH1A1POLBMAPTLMNA
SCHEMBL2822374 0.85 HTT (0.55) HTTALDH1A1TSHRMAPK1LMNA
SCHEMBL1374393 0.85 ALDH1A1 (0.53) HTTALDH1A1CYP2C19POLBMAPK1
SCHEMBL3029014 0.84 HTT (0.56) HTTALDH1A1MAPTLMNASMN1; SMN2

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-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 EP claimed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 EP disclosed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 EP disclosed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 EP disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 US disclosed
EP-2125830-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLOÝ3,4-D¨PYRIDAZIN-7(6H)-ONE Almirall, S.A. (ES) 2009-12-02 EP disclosed
EP-2125830-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLOÝ3,4-D¨PYRIDAZIN-7(6H)-ONE Almirall, S.A. (ES) 2009-12-02 EP disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 WO disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 WO disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 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-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE HPD, CYP4F11, CYP4F8 HTT 1920/4885ALDH1A1 215/4885CYP3A4 19/4885

“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.