SCHEMBL708573

SCHEMBL708573

COC(=O)C1CCCN1c1ncc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 4/20 0.44
HCAR3 P49019 3/20 0.40
ULK1 O75385 1/20 0.39
JAK2 O60674 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TPMT P51580 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL708572 1.00 OPRK1 (0.52) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10281620 0.91 OPRK1 (0.62) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6125265 0.91 OPRK1 (0.62) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL708078 0.88 OPRK1 (0.64) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL708077 0.88 OPRK1 (0.64) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL708166 0.86 OPRK1 (0.60) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL708167 0.86 OPRK1 (0.60) OPRK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22901097 0.78 KEAP1 (0.51) OPRK1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL22901135 0.78 KEAP1 (0.51) OPRK1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL21449529 0.78 KEAP1 (0.51) OPRK1SMN1; SMN2ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (5 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 OPRK1 1194/4885SMN1; SMN2 1693/4885ALDH1A1 734/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 OPRK1 1194/4885SMN1; SMN2 1693/4885ALDH1A1 734/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 OPRK1 1194/4885SMN1; SMN2 1693/4885ALDH1A1 734/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 OPRK1 1194/4885SMN1; SMN2 1693/4885ALDH1A1 734/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 OPRK1 1194/4885SMN1; SMN2 1693/4885ALDH1A1 734/4885

“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.