SCHEMBL5069998

SCHEMBL5069998

O=C1OC(c2ccccc2)=C2C(=O)N(c3ccccc3)C(c3ccccc3)=C12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 4/20 0.36
FAAH O00519 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
RAD51 Q06609 2/20 0.34
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5068959 0.82 MGLL (0.46) MGLLNR1H2NR1H3ALDH1A1FAAH
SCHEMBL27575223 0.81 NR1H2 (0.45) MGLLNR1H2NR1H3ALDH1A1FAAH
SCHEMBL14275471 0.79 PTGS2 (0.44) NR1H2NR1H3PTGS2MAPT
SCHEMBL9338651 0.78 PTGS2 (0.45) ALDH1A1MEN1KMT2APTGS2GAA
SCHEMBL9836388 0.75 F2 (0.48) MGLLALDH1A1FAAHMEN1KMT2A
SCHEMBL14275469 0.74 NR1H2 (0.47) MGLLNR1H2NR1H3ALDH1A1FAAH
SCHEMBL14051706 0.74 PTGS2 (0.40) NR1H2NR1H3ALDH1A1PTGS2LMNA
SCHEMBL23954215 0.73 HSP90AA1 (0.51) MGLLALDH1A1FAAHMEN1KMT2A
SCHEMBL5109381 0.73 MAPK1 (0.39) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL30540066 0.72 PTGS2 (0.48) ALDH1A1MEN1KMT2APTGS2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US claimed
EP-1436296-B1 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SC HOLDING AG (CH) 2006-03-22 EP claimed
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material BASF SE (DE) 2004-12-09 US claimed
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US claimed
US-8883889-B2 Pigment compositions comprising pyrrolo[3,4-c]pyrroles BASF SE (DE) 2014-11-11 US disclosed
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 US disclosed
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 US disclosed
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 US disclosed
US-7326793-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-7326793-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles RUFFIEUX VINCENT 2007-05-24 US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 US disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
EP-1641802-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES Ciba SC Holding AG (CH) 2006-04-05 EP disclosed
EP-1436296-B1 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SC HOLDING AG (CH) 2006-03-22 EP disclosed
WO-2005005430-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 WO disclosed
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material BASF SE (DE) 2004-12-09 US disclosed
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
EP-1425282-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES Ciba SC Holding AG (CH) 2004-06-09 EP disclosed
WO-2003022848-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 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-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material PAXBP1, PAX3, PPOX MGLL 4784/4885NR1H2 4567/4885NR1H3 4611/4885
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles PAX3, PPOX, FIP1L1 MGLL 4560/4885NR1H2 4455/4885NR1H3 4488/4885
US-20070100135-A1 Process for the preparation of furopyrroles CCND3, C1S, CCNL2 MGLL 427/4885NR1H2 1068/4885NR1H3 1167/4885
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material MKI67, PAH, PKLR MGLL 3323/4885NR1H2 4870/4885NR1H3 4885/4885

“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.