SCHEMBL4481101

SCHEMBL4481101

NC(=O)c1c(-c2ccc(N)cc2)c[nH]c1NC(=O)CCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LDLR P01130 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALPL P05186 2/20 0.40
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4471715 0.87 SMN1; SMN2 (0.51) ALDH1A1NPSR1HTTKMT2AMEN1
SCHEMBL4475436 0.82 GSK3B (0.46) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL4472484 0.78 KDR (0.48) LCKSRCKDR
SCHEMBL4486233 0.75 PKM (0.37) ALDH1A1HTTTDP1SMN1; SMN2RAB9A
SCHEMBL4481644 0.72 KDR (0.43) RAB9ACYP3A4MAPTMAPK1SRC
SCHEMBL4485740 0.70 CAMKK2 (0.35) HTTRAB9ACYP3A4MAPTKDR
SCHEMBL27527552 0.65 ALDH1A1 (0.54) ALDH1A1NPSR1HTTKMT2AMEN1
SCHEMBL27711641 0.65 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6315733 0.63 ALDH1A1 (0.49) ALDH1A1NPSR1HTTKMT2AMEN1
SCHEMBL1948582 0.62 ALDH1A1 (0.64) ALDH1A1NPSR1HTTKMT2AMEN1

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
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
EP-1851198-B1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA SA (FR) 2008-12-31 EP disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
CN-101115716-A Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA SA (FR) 2008-01-30 CN disclosed
EP-1851198-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-11-07 EP disclosed
WO-2006084996-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-17 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-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof PRMT1, ADPRS, RRM2B ALDH1A1 282/4885NPSR1 1697/4885HTT 2564/4885

“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.