SCHEMBL4466142

SCHEMBL4466142

COc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2C2(c3ccc(C#N)cc3)OC=CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
ALK Q9UM73 1/20 0.46
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EGLN1 Q9GZT9 1/20 0.45
USP2 O75604 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
PTGDR Q13258 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM1A O60341 3/20 0.43

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
SCHEMBL4480078 0.81 ALDH1A1 (0.52) HPGDSMN1; SMN2USP2TSHRALDH1A1
SCHEMBL4466140 0.80 CNR1 (0.62) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL4463036 0.70 MKNK1 (0.39) RAB9AEGLN1TSHRKDM1ANPC1
SCHEMBL9792247 0.69 HPGD (0.79) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL21524887 0.69 PHGDH (0.63) KMT2AL3MBTL1HPGDSMN1; SMN2EGLN1
SCHEMBL6456595 0.65 L3MBTL1 (0.73) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL982957 0.64 L3MBTL1 (0.48) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL4466568 0.64 CNR1 (0.67) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL983206 0.64 GRIK2 (0.48) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL5646059 0.64 KMT2A (0.70) RAB9AMEN1KMT2AL3MBTL1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 RAB9A 2171/4885MEN1 4029/4885KMT2A 3200/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 RAB9A 2321/4885MEN1 2979/4885KMT2A 3559/4885

“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.