SCHEMBL3553264

SCHEMBL3553264

c1c[nH]c(CN2CCC[N]CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRM1 P35372 1/20 0.33
HTR4 Q13639 1/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6484067 0.93 ALOX15 (0.79) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL4515060 0.86 ALOX15 (0.85) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL1953418 0.86 ALOX15 (0.85) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL807358 0.84 ALOX15 (0.81) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL18325377 0.84 ALOX15 (0.81) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL15329166 0.82 ALOX15 (1.00) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL18325474 0.76 ALOX15 (0.67) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL4731563 0.76 ALOX15 (0.79) ALOX15ALDH1A1LMNAHTR1DHTR1B
SCHEMBL5709857 0.76 ALOX15 (0.79) ALOX15KAT2BALDH1A1KDM4ELMNA
SCHEMBL24672614 0.75 ALOX15 (0.82) ALOX15ALDH1A1LMNAHTR1DHTR1B

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 2 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

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 ALOX15 716/4885KAT2B 3001/4885ALDH1A1 139/4885

“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.