SCHEMBL5116323

SCHEMBL5116323

O=C1NC(c2ccccc2)=C2C(=O)OC(c3ccc([N+](=O)[O-])cc3)=C12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 4/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
HTT P42858 3/20 0.38
TNKS O95271 1/20 0.38
GUSB P08236 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5117194 0.86 GSK3B (0.39) GSK3BKMT2AALDH1A1GAAKDM4E
SCHEMBL5116823 0.81 ALDH1A1 (0.40) MAPK1GSK3BALDH1A1TNKSTNKS2
SCHEMBL25027833 0.80 GSK3B (0.47) POLBGSK3BMAPTL3MBTL1LMNA
SCHEMBL14051815 0.78 PTGS2 (0.34) GSK3BKMT2AMEN1ALDH1A1GAA
SCHEMBL14275472 0.76 GSK3B (0.41) GSK3BKMT2AMEN1MAPTLMNA
SCHEMBL17430499 0.74 KMT2A (0.66) POLBMAPK1KMT2AMEN1MAPT
SCHEMBL5114809 0.73 KMT2A (0.42) POLBMAPK1KMT2AMEN1MAPT
SCHEMBL5124277 0.70 GSK3B (0.41) POLBMAPK1GSK3BKMT2AMEN1
SCHEMBL12424875 0.69 GSK3B (0.39) GSK3BMAPTGAACYP3A4GSK3A
SCHEMBL91967 0.69 PTGS2 (0.48) GSK3BALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 US disclosed
EP-1641802-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES Ciba SC Holding AG (CH) 2006-04-05 EP disclosed
WO-2005005430-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 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 (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-20070100135-A1 Process for the preparation of furopyrroles CCND3, C1S, CCNL2 POLB 3355/4885MAPK1 1232/4885GSK3B 3093/4885

“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.