SCHEMBL3555487

SCHEMBL3555487

CC(C(=O)N1CC[N]CC1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.41
PLD1 Q13393 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.36
NAMPT P43490 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
SCHEMBL29520458 0.87 GAA (0.53) GAAKMT2AKDM1APLD1ALDH1A1
SCHEMBL9579326 0.80 GAA (0.49) GAAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19091726 0.74 KDM1A (0.48) GAAKMT2AKDM1APLD1ALDH1A1
SCHEMBL10140567 0.74 SMN1; SMN2 (0.41) GAAKMT2AKDM1AALDH1A1KDM4E
SCHEMBL14487477 0.74 SMN1; SMN2 (0.41) GAAKMT2AKDM1AALDH1A1KDM4E
SCHEMBL187976 0.73 CHRNB2 (0.42) KMT2AALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL23128319 0.72 POLB (0.46) GAAKMT2AKDM1APLD1ALDH1A1
SCHEMBL3714585 0.71 ALDH1A1 (0.50) KMT2AALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8902371 0.71 SMN1; SMN2 (0.42) GAAKMT2AALDH1A1KDM4ECYP3A4
SCHEMBL19316681 0.71 SMN1; SMN2 (0.46) GAAKMT2AALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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 (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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 GAA 1525/4885KMT2A 2987/4885KDM1A 1742/4885

“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.