SCHEMBL3721906

SCHEMBL3721906

O=CNCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.36
KEAP1 Q14145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PAOX Q6QHF9 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34

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
Hydrochloric Acid SCHEMBL10511161 0.98 GLA (0.39) SMN1; SMN2KDM4EHSD17B10ALOX15TSHR
SCHEMBL170215 0.78 PAOX (0.46) SMN1; SMN2KDM4ETSHRGLAKEAP1
SCHEMBL1259917 0.78
SCHEMBL1259599 0.78
SCHEMBL4392228 0.78 USP2 (0.44) SMN1; SMN2KDM4EHSD17B10ALOX15TSHR
SCHEMBL6006541 0.77 HPGD (0.37) SMN1; SMN2KDM4EHSD17B10ALOX15TSHR
SCHEMBL1259339 0.76 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10ALDH1A1MAPK1POLB
SCHEMBL289649 0.75 PAOX (0.55) SMN1; SMN2KDM4ETSHRKEAP1ALDH1A1
SCHEMBL10502043 0.75 PAOX (0.51) SMN1; SMN2KDM4ETSHRKEAP1ALDH1A1
SCHEMBL2627646 0.74 USP2 (0.34) SMN1; SMN2KDM4EHSD17B10ALOX15TSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1157003-A1 ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 EP disclosed
EP-1155010-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
WO-1993012796-A1 USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR SMN1; SMN2 3454/4885KDM4E 718/4885HSD17B10 925/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 SMN1; SMN2 4010/4885KDM4E 1370/4885HSD17B10 418/4885

“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.