SCHEMBL6874413

SCHEMBL6874413

Cc1[nH]c2ccc(Cl)cc2c1C1=C(c2cccc([N+](=O)[O-])c2)C(=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49
HCRTR1 O43613 1/20 0.48
PKM P14618 1/20 0.48
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 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
SCHEMBL6869104 0.88 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6868738 0.87 IDO1 (0.47) GSK3BALDH1A1MEN1KMT2ACSF1R
SCHEMBL6952882 0.86 CTSV (0.52) PKMGSK3BALDH1A1MEN1KMT2A
SCHEMBL4425448 0.73 GSK3B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11625660 0.73 HCRTR1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9269177 0.69 MAP2 (0.62) HCRTR1PKMGSK3AGSK3BALDH1A1
SCHEMBL15797025 0.68 IMPDH2 (0.49) ALDH1A1MEN1KMT2AMAPK1CLK4
SCHEMBL17396637 0.67 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL7230887 0.67 LMNA (0.50) GSK3AGSK3BALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7736818 0.67 ADRA2A (0.46) ALDH1A1MEN1KMT2ACSF1RPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465610-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP disclosed
WO-2003057202-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 WO disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GABRP 1796/4885GABRD 3093/4885GABRA1 3330/4885

“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.