SCHEMBL3558802

SCHEMBL3558802

O=[N+]([O-])c1ccc(N2CCC[N]CC2)nc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
ALDH1A1 P00352 6/20 0.76
LMNA P02545 3/20 0.76
ALOX12 P18054 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
CRBN Q96SW2 3/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.48
PKM P14618 1/20 0.47
NPY2R P49146 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4670939 0.94 MAPT (0.77) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29739445 0.88 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL238818 0.88 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL940256 0.88 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1981875 0.86 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2003294 0.79 MAPT (0.76) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1285595 0.79 MAPT (0.76) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3650629 0.78 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2440832 0.78 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL341002 0.78 ALDH1A1 (1.00) MAPTALDH1A1LMNAALOX12NPSR1

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 MAPT 76/4885ALDH1A1 139/4885LMNA 1512/4885

“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.