SCHEMBL2956591

SCHEMBL2956591

O=C(O)c1cc(Cl)cc2nc(-c3ccccc3)oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.61
ESR2 Q92731 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ESR1 P03372 2/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
DRD1 P21728 1/20 0.47
OPRD1 P41143 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
CETP P11597 3/20 0.44

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
SCHEMBL2950808 0.87 ESR2 (0.62) DHODHESR2SMN1; SMN2CASP3SENP7
SCHEMBL26390953 0.81 SMN1; SMN2 (0.59) DHODHESR2SMN1; SMN2CASP3SENP7
SCHEMBL10725702 0.79 MAPT (0.47) DHODHESR2SMN1; SMN2CASP3SENP7
SCHEMBL26390969 0.79 SMN1; SMN2 (0.56) DHODHESR2SMN1; SMN2CASP3SENP7
SCHEMBL121400 0.78 DHODH (0.94) DHODHESR2SMN1; SMN2ESR1KDM4E
SCHEMBL441801 0.78 DHODH (0.68) DHODHESR2SMN1; SMN2ESR1MAPT
SCHEMBL17360636 0.78 RAB9A (0.60) DHODHESR2SMN1; SMN2ESR1MAPT
SCHEMBL121632 0.77 DHODH (0.70) DHODHESR2SMN1; SMN2CASP3SENP7
SCHEMBL7356459 0.77 ESR2 (0.42) DHODHESR2ESR1MAPTPOLB
SCHEMBL2959750 0.77 DHODH (0.51) DHODHSMN1; SMN2CASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865634-B2 4-alkyl substituted pyridines as odiferous substances SYMRISE AG (DE) 2014-10-21 US disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20100130624-A1 4-ALKYL SUBSTITUTED PYRIDINES AS ODIFEROUS SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2010-05-27 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 US 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 (3 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-20100130624-A1 4-ALKYL SUBSTITUTED PYRIDINES AS ODIFEROUS SUBSTANCES CYP4A22, CYP4X1, CYP4B1 DHODH 1426/4885ESR2 851/4885SMN1; SMN2 3664/4885
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A DHODH 2821/4885ESR2 628/4885SMN1; SMN2 4403/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A DHODH 2821/4885ESR2 628/4885SMN1; SMN2 4403/4885

“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.