SCHEMBL3547663

SCHEMBL3547663

O=C(c1ncc[nH]1)N1CC[N]CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR2B P41595 4/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.37
PARP1 P09874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TYRO3 Q06418 1/20 0.34
ALOX15 P16050 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL30636902 0.86 HTT (0.50) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL2424622 0.84 HTT (0.49) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL14085270 0.83 HTT (0.48) HTTSMN1; SMN2GLANPC1RAB9A
Hydrochloric Acid SCHEMBL31267936 0.81 HTT (0.47) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL2423946 0.81 HRH4 (0.51) HTTSMN1; SMN2HRH4
SCHEMBL16812295 0.79 APOBEC3A (0.48) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL13741691 0.78 HTT (0.44) HTTSMN1; SMN2
SCHEMBL6278621 0.76 SMN1; SMN2 (0.58) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL20952808 0.75 TYRO3 (0.44) HTTSMN1; SMN2GLANPC1RAB9A
SCHEMBL20690381 0.75 GLA (0.53) HTTSMN1; SMN2GLANPC1RAB9A

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 HTT 746/4885SMN1; SMN2 1217/4885GLA 664/4885

“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.