SCHEMBL1122415

SCHEMBL1122415

NC(=O)c1cccnc1CC=CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SYK P43405 5/20 0.43
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HTT P42858 1/20 0.38
P2RX7 Q99572 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
METAP2 P50579 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7083112 0.82 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8920225 0.79 SYK (0.43) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8920245 0.79 SYK (0.43) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5196284 0.78 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL497429 0.78 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1937751 0.78 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL353231 0.76 KDM4E (0.55) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30666151 0.76 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31439135 0.76 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30011332 0.76 KDM4E (0.55) PARP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931656-B1 NOVEL DRUGS FOR DEMENTIA TERNANSKY ROBERT (US) 2011-02-09 EP disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 US disclosed
US-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-07-03 US disclosed
EP-1931656-A1 NOVEL DRUGS FOR DEMENTIA Ternansky, Robert (US) 2008-06-18 EP disclosed
EP-1853556-A1 DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2007-11-14 EP disclosed
WO-2007038772-A1 NOVEL DRUGS FOR DEMENTIA AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2007-04-05 WO disclosed
WO-2006092204-A1 DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-08 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 (2 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-20080227806-A1 Novel Drugs for Dementia CTSS, PRSS1, CBS PARP1 4208/4885KDM4E 3000/4885ALDH1A1 2533/4885
US-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt CPT1B, CPT1A, CPT2 PARP1 2638/4885KDM4E 1498/4885ALDH1A1 677/4885

“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.