SCHEMBL708634

SCHEMBL708634

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ MAPT P10636 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ OPRK1 P41145 4/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL708635 1.00 SMN1; SMN2 (0.63) SMN1; SMN2MAPTALDH1A1MAPK1HTT
SCHEMBL6125354 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1HTTOPRK1
SCHEMBL17111487 0.82 CUL4A (0.50) SMN1; SMN2MAPTALDH1A1MAPK1HTT
SCHEMBL17111542 0.82 CUL4A (0.50) SMN1; SMN2MAPTALDH1A1MAPK1HTT
SCHEMBL17111522 0.78 CHRNB4 (0.40) SMN1; SMN2MAPTALDH1A1MAPK1HTT
SCHEMBL17111521 0.78 CHRNB4 (0.40) SMN1; SMN2MAPTALDH1A1MAPK1HTT
SCHEMBL11055247 0.78 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1MAPK1HSD17B10
SCHEMBL21437308 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1KEAP1NFE2L2
SCHEMBL21437170 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1KEAP1NFE2L2
SCHEMBL23093701 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1

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 12 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
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 — — EP 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
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — WO 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 SMN1; SMN2 1693/4885MAPT 1730/4885ALDH1A1 734/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885MAPT 1730/4885ALDH1A1 734/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885MAPT 1730/4885ALDH1A1 734/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885MAPT 1730/4885ALDH1A1 734/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885MAPT 1730/4885ALDH1A1 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.

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