SCHEMBL3083540

SCHEMBL3083540

COC(=O)c1cc2cccc(CC#N)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3071487 0.82 LMNA (0.47) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL21039190 0.80 LMNA (0.47) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL4674251 0.77 LMNA (0.53) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL3059714 0.77 MTNR1A (0.53)
SCHEMBL3076627 0.76 LMNA (0.51) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL5584678 0.75 LMNA (0.75) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL20604721 0.75 LMNA (0.50) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL28633029 0.72 ALDH1A1 (0.57) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL29892384 0.72 ALDH1A1 (0.57) LMNARECQLALDH1A1KMT2ANPC1
SCHEMBL7367818 0.70 LMNA (0.68) LMNARECQLALDH1A1KMT2ANPC1

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885RECQL 2060/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885RECQL 2060/4885ALDH1A1 142/4885

“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.