SCHEMBL5047017

SCHEMBL5047017

N=C(N)NCCCC(N)C(=O)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL29732021 1.00 L3MBTL1 (0.44) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL8305596 1.00 L3MBTL1 (0.44) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL14524820 0.88 ALOX15 (0.44) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL14524842 0.88 ALOX15 (0.44) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL22850476 0.88 L3MBTL1 (0.44) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL22930256 0.86 NPC1 (0.51) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL22930269 0.86 L3MBTL1 (0.41) L3MBTL1TP53ALOX15TSHRCASP1
SCHEMBL8667159 0.86 TP53 (0.42) L3MBTL1TP53ALOX5
SCHEMBL14127426 0.85 PRSS1 (0.48)
SCHEMBL17145027 0.84 NFKB1 (0.41) TP53ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021254919-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-23 WO disclosed
EP-1660493-B1 PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES JANSSEN PHARMACEUTICA NV (BE) 2008-10-08 EP disclosed
US-7205384-B2 Process for preparing peptidyl heterocyclic ketone derivatives ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 2007-04-17 US disclosed
EP-1660493-A1 PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005023804-A1 PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-17 WO disclosed
US-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-17 US 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-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives CMA1, TPSB2, TPSAB1 L3MBTL1 4881/4885TP53 4058/4885ALOX15 676/4885

“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.