SCHEMBL726453

SCHEMBL726453

O=C(O)C=CC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 6/20 0.67
HTT P42858 3/20 0.67
RAB9A P51151 1/20 0.67
PTPN1 P18031 1/20 0.66
PTPN12 Q05209 1/20 0.66
PTPN22 Q9Y2R2 1/20 0.66
TP53 P04637 1/20 0.65
MAOB P27338 2/20 0.62
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
LMNA P02545 4/20 0.60
NTSR1 P30989 2/20 0.60
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL3668862 1.00 ALDH1A1 (0.67) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL14410772 0.84 ALDH1A1 (0.71) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL9779526 0.83 MAPT (0.84) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL9779522 0.83 MAPT (0.84) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL522442 0.81 CES2 (0.68) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL1073090 0.81 MAPT (0.86) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL31441212 0.81 MAPT (0.86) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL1073092 0.81 MAPT (0.86) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL31441210 0.81 MAPT (0.86) ALDH1A1MAPTHTTRAB9APTPN1
SCHEMBL3940663 0.80 TP53 (0.59) ALDH1A1MAPTHTTRAB9APTPN1

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
JP-4813800-B2 2011-11-09 JP claimed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US claimed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
US-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US claimed
EP-0858442-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP claimed
WO-1997017316-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 WO claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US disclosed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 US disclosed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-0858442-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
EP-0858443-A1 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997017316-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 WO disclosed
WO-1997017317-A1 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 WO disclosed
US-4127656-A Method of inhibiting lipogensis with 3-(benzoyl)oxiranecarboxamides SHELL OIL COMPANY (US) 1978-11-28 US disclosed
US-4091221-A LIPOGENESIS INHIBITORS SHELL OIL COMPANY (US) 1978-05-23 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 (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-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 ALDH1A1 1018/4885MAPT 3894/4885HTT 3531/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT ALDH1A1 705/4885MAPT 4129/4885HTT 1636/4885

“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.