SCHEMBL6290809

SCHEMBL6290809

O=C(O)C1CCCN1C(=O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.56
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
F10 P00742 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
DAO P14920 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6290811 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDMMP8MMP12
SCHEMBL6794093 0.89 L3MBTL1 (0.64) L3MBTL1ALDH1A1CA2SMN1; SMN2TDP1
SCHEMBL6794087 0.89 L3MBTL1 (0.64) L3MBTL1ALDH1A1CA2SMN1; SMN2TDP1
SCHEMBL11225841 0.83 MMP8 (0.48) L3MBTL1ALDH1A1HPGDMMP8MMP12
SCHEMBL11218694 0.79 ACE (0.58) MMP8MMP12MMP13MAPT
SCHEMBL11226816 0.79 ACE (0.58) MMP8MMP12MMP13MAPT
SCHEMBL11226820 0.79 ACE (0.58) MMP8MMP12MMP13MAPT
SCHEMBL11219531 0.79 MMP8 (0.45) L3MBTL1ALDH1A1MMP8MMP12MMP13
SCHEMBL11218699 0.79 ACE (0.58) MMP8MMP12MMP13MAPT
SCHEMBL2640103 0.79 ALDH1A1 (0.52) L3MBTL1ALDH1A1HPGDMMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867211-B2 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2005-03-15 US disclosed
EP-1252163-B1 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2003-09-24 EP disclosed
US-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2003-08-14 US disclosed
EP-1252163-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2002-10-30 EP disclosed
WO-2001057042-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2001-08-09 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-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy IL4, IL2, IL5 L3MBTL1 4875/4885ALDH1A1 524/4885HPGD 34/4885

“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.