SCHEMBL1362891

SCHEMBL1362891

COC(=O)CCc1ncc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
TERT O14746 1/20 0.45
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
FDPS P14324 1/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
FPR2 P25090 1/20 0.38
HTR1A P08908 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 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
SCHEMBL15874946 0.89 TBXAS1 (0.65) TBXAS1TERTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1093234 0.87 TBXAS1 (0.68) TBXAS1TERTALDH1A1SMN1; SMN2HPGD
SCHEMBL3591993 0.83 MAPT (0.52) TBXAS1TERTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6013791 0.82 KDM4E (0.46) TBXAS1TERTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11464276 0.81 TBXAS1 (0.51) TBXAS1TERTALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28900907 0.81 KDM4E (0.49) TBXAS1TERTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8649840 0.80 TBXAS1 (0.57) TBXAS1TERTALDH1A1SMN1; SMN2FDPS
SCHEMBL12599202 0.79 TBXAS1 (0.53) TBXAS1TERTSMN1; SMN2FDPSGAA
SCHEMBL6448262 0.78 TBXAS1 (0.59) TBXAS1TERTKDM4ESMN1; SMN2FDPS
SCHEMBL434767 0.78 TBXAS1 (0.74) TBXAS1TERTSMN1; SMN2FDPSGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067453-B2 Oxazole compound to treat or prevent diabetic neuropathy; 4-(4-chlorophenyl)-5-(3-(2-methoxyphenoxy)propyl-2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-29 US disclosed
US-20080269219-A1 Neurotrophin production/secretion promoting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-7396848-B1 oxazole derivatives to treat diabetic neuropathy and/or other kinds of peripheral neuropathy; 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-08 US disclosed
EP-1206472-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-10-01 EP disclosed
US-6605629-B1 Oxazole derivatives; low toxicity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-12 US disclosed
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US disclosed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP disclosed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP disclosed
US-5565476-A RENIN INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND HYPERTENSION BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-10-15 US disclosed
US-5554634-A HYPOTENSIVE BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-10 US disclosed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US disclosed
US-5523315-A N-(hydroxyethyl)butanediamide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-06-04 US disclosed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP 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-20080269219-A1 Neurotrophin production/secretion promoting agent BDNF, NGF, NTRK2 TBXAS1 2916/4885TERT 2848/4885ALDH1A1 937/4885

“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.