SCHEMBL5299268

SCHEMBL5299268

O=c1cc(Nc2ccc(N3CCCC3)cc2)[nH]c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GPR84 Q9NQS5 1/20 0.50
▸ UNG P13051 1/20 0.48

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
SCHEMBL5309531 0.76 TP53 (0.63) TP53MAPTHTT
SCHEMBL5298937 0.74 TP53 (0.71) TP53MAPTHTTSMN1; SMN2
SCHEMBL4082607 0.74 MAPT (0.68) TP53MAPTHTT
SCHEMBL3971654 0.72 TP53 (0.57) TP53MAPTHTT
SCHEMBL14431554 0.71 CYP1A2 (0.58) TP53GAAMAPTMAPK1HTT
SCHEMBL7967579 0.71 UNG (0.58) TP53UNG
SCHEMBL17057465 0.69 TP53 (1.00) TP53MAPTHTT
SCHEMBL5311069 0.68 USP2 (0.58) TP53MAPTMAPK1HTTSMN1; SMN2
SCHEMBL7343928 0.67 MAPT (0.56) TP53GAAMAPTMAPK1HTT
SCHEMBL7533591 0.66 TP53 (0.75) TP53MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT TP53 1730/4885GAA 132/4885MAPT 723/4885

“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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