SCHEMBL3671008

SCHEMBL3671008

O=C(O)/C=C/C(=O)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPT P10636 3/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 2/20 0.63
GAA P10253 1/20 0.63
MAOB P27338 4/20 0.58
MAOA P21397 3/20 0.56
PTPN1 P18031 1/20 0.56
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP1B1 Q16678 1/20 0.54
PARP1 P09874 1/20 0.53
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HCAR2 Q8TDS4 1/20 0.50
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL728119 1.00 ALDH1A1 (0.63) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL31167601 0.92 ALDH1A1 (0.71) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL29273761 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL30641501 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL657846 0.81 MAOB (0.82) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL657847 0.81 MAOB (0.82) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL21686083 0.79 HDAC11 (0.55) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL16939629 0.79 MAOB (0.84) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL3045995 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL19243110 0.78 ALDH1A1 (0.55) ALDH1A1MAPTHPGDHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US 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
US-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US 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
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
EP-0138349-B1 3-BENZOYL-2-MERCAPTOPROPIONIC ACID DERIVATIES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
US-4594197-A 3-benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0138349-A1 3-Benzoyl-2-mercaptopropionic acid derivaties TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-04-24 EP disclosed
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 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 3894/4885HPGD 276/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT ALDH1A1 705/4885MAPT 4129/4885HPGD 164/4885

“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.