SCHEMBL3071834

SCHEMBL3071834

COC(=O)c1ccccc1NC(=O)C=C(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
HPGD P15428 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 6/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 7/20 0.56
HSD17B10 Q99714 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
THRB P10828 1/20 0.56
GAA P10253 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
ALOX15 P16050 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53

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
SCHEMBL8844920 0.83 LMNA (0.64) LMNASMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL4736645 0.82 HPGD (0.68) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL29655205 0.81 KMT2A (0.71) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL1640485 0.81 KMT2A (0.71) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL24594132 0.81 SMN1; SMN2 (0.75) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL6782877 0.81 HPGD (0.54) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL6783383 0.81 LTB4R (0.62) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL15619558 0.79 HPGD (0.78) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL15619559 0.79 HPGD (0.78) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL15630052 0.79 HPGD (1.00) LMNAHPGDSMN1; SMN2HTTKMT2A

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 3190/4885HPGD 423/4885SMN1; SMN2 4291/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885HPGD 423/4885SMN1; SMN2 4291/4885

“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.