SCHEMBL5872643

SCHEMBL5872643

O=C(O)CN1CCN(CC(=O)N2CCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BIRC2 Q13490 1/20 0.47
ATM Q13315 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
SCHEMBL7129737 0.94 GAA (0.63) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL7127595 0.91 GAA (0.64) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL3440531 0.86 GAA (0.86) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL20338317 0.85 GAA (0.69) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL5605504 0.84 GAA (0.62) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL20349175 0.84 GAA (0.91) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL21338467 0.84 GAA (0.91) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL3912798 0.84 GAA (0.91) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL30920954 0.84 GAA (0.82) GAAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL8719367 0.84 HSD17B10 (0.56) GAAALDH1A1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
US-7034022-B2 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S. A. (FR) 2006-04-25 US disclosed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 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-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK GAA 353/4885ALDH1A1 454/4885KDM4E 2612/4885

“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.