SCHEMBL6447301

SCHEMBL6447301

[O]CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
TGM2 P21980 1/20 0.72
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KEAP1 Q14145 3/20 0.64
NFE2L2 Q16236 3/20 0.64
FOLH1 Q04609 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
DPP8 Q6V1X1 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
MAPT P10636 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52

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
SCHEMBL9874334 0.95 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.95 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.95 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.93 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL11997140 0.91 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7520402 0.91 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.90 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL234271 0.89 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL30893361 0.89 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL31400174 0.89 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 HTT 55/4885TGM2 757/4885LMNA 1225/4885

“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.