SCHEMBL5728441

SCHEMBL5728441

CN(C)C(=O)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PARP10 Q53GL7 5/20 0.47
NUDT1 P36639 1/20 0.43
PARP4 Q9UKK3 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
AOC3 Q16853 2/20 0.42
CYP17A1 P05093 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
SLC22A2 O15244 1/20 0.41

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
SCHEMBL14415486 0.84 PARP10 (0.47) PLA2G10PLA2G2APARP10PARP4CA1
SCHEMBL3440360 0.82 ALDH1A1 (0.55) HDAC4HDAC6NUDT1KMT2AALDH1A1
SCHEMBL14415485 0.81 POLB (0.47) PLA2G10PLA2G2APARP10AOC3
SCHEMBL4052270 0.80 NUDT1 (0.49) HDAC4HDAC6NUDT1PARP1ALDH1A1
SCHEMBL8143899 0.80 CYP2D6 (0.46) HDAC4HDAC6NUDT1PARP1KDM4E
SCHEMBL14415488 0.79 SMN1; SMN2 (0.48) PLA2G10PLA2G2APARP10PARP4CA1
SCHEMBL3440217 0.78 PLK1 (0.59) HDAC4HDAC6CA1CA2EPHX2
SCHEMBL171877 0.78 CTBP2 (0.48) HDAC4HDAC6CNR1ADRA1AKCNH2
SCHEMBL7149167 0.78 PLA2G10 (0.53) PLA2G10PLA2G2APARP10PARP4CA1
SCHEMBL10567198 0.78 CA2 (0.56) NUDT1CA2NR1H4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 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 (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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 PLA2G10 2382/4885PLA2G2A 2293/4885HDAC4 2102/4885

“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.