SCHEMBL885033

SCHEMBL885033

CCOC(=O)C(=[N+]=[N-])C(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.36
SOAT1 P35610 1/20 0.34
ALDH1A1 P00352 5/20 0.34
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRM1 P11229 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2204826 0.80 ALDH1A1 (0.43) MAPTGAARAB9ASOAT1ALDH1A1
SCHEMBL20744302 0.79 MAPT (0.31) MAPTALDH1A1NPSR1GLO1TSHR
SCHEMBL20744060 0.79 MAPT (0.31) MAPTALDH1A1NPSR1GLO1TSHR
SCHEMBL12822512 0.79 NPSR1 (0.32) MAPTGAASOAT1ALDH1A1ALOX15
SCHEMBL6642281 0.78 MAPT (0.47) MAPTGAARAB9ASOAT1ALDH1A1
SCHEMBL2255510 0.77 SOAT1 (0.39) MAPTGAARAB9ASOAT1ALDH1A1
SCHEMBL884494 0.76 MAPT (0.34) MAPTGAAALDH1A1NPSR1GLO1
SCHEMBL962321 0.75 GLO1 (0.47) MAPTGAARAB9ASOAT1ALDH1A1
SCHEMBL15730012 0.75 MAPT (0.44) MAPTGAARAB9ASOAT1ALDH1A1
SCHEMBL14922478 0.73 ALOX15 (0.44) MAPTGAARAB9ASOAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
CN-110724094-B Quinoline compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed
CN-110724094-A Quinoline compound and synthesis method thereof 陕西科技大学 2020-01-24 CN disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
US-20080219924-A1 Imaging, diagnosis and treatment of disease CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-09-11 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
US-5204333-A Fluorine substituted heterobicycloalkanes WELLCOME FOUNDATION LIMITED, THE (GB) 1993-04-20 US disclosed
EP-0380312-A1 Pesticidal compounds ROUSSEL-UCLAF (FR) 1990-08-01 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 (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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT MAPT 2847/4885GAA 96/4885RAB9A 559/4885
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 MAPT 4065/4885GAA 1515/4885RAB9A 1491/4885

“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.