SCHEMBL5732374

SCHEMBL5732374

COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(C=O)n2C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 13/20 0.53
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ATM Q13315 1/20 0.49
PTPN1 P18031 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5732152 0.91 HMGCR (0.56) HMGCR
SCHEMBL5731745 0.83 HMGCR (0.62) HMGCRKDM4ESMN1; SMN2
SCHEMBL5731747 0.83 HMGCR (0.62) HMGCRKDM4ESMN1; SMN2
SCHEMBL5731742 0.83 HMGCR (0.62) HMGCRKDM4ESMN1; SMN2
SCHEMBL6091284 0.83 HMGCR (0.50) HMGCR
SCHEMBL6090615 0.82 HMGCR (0.49) HMGCR
SCHEMBL5731420 0.79 HMGCR (0.45) HMGCRKDM4ESMN1; SMN2
SCHEMBL5730836 0.79 ALDH1A1 (0.42) HMGCRNPC1RAB9AMAPTMEN1
SCHEMBL5731225 0.77 HMGCR (0.56) HMGCRNPC1RAB9AKMT2AKDM4E
SCHEMBL5731467 0.77 HMGCR (0.52) HMGCR

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
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 HMGCR 1/4885NPC1 45/4885RAB9A 3611/4885

“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.