SCHEMBL4472494

SCHEMBL4472494

CC(C)C(=O)Nc1[nH]cc(-c2ccc(N)cc2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDR P35968 3/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDGFRB P09619 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
HTT P42858 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
KIF11 P52732 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4486233 0.85 PKM (0.37) ALDH1A1KDRCYP3A4PDGFRBCAMKK2
SCHEMBL4465328 0.84 LMNA (0.46) ALDH1A1HTTMAPTTSHRNPSR1
SCHEMBL4481644 0.80 KDR (0.43) KDRCYP3A4PDGFRBCCNCCDK8
SCHEMBL4475436 0.80 GSK3B (0.46) ALDH1A1KDRTP53CDK8KDM4E
SCHEMBL4485740 0.77 CAMKK2 (0.35) KDRCYP3A4CAMKK2HTTCCNC
SCHEMBL4481101 0.72 ALDH1A1 (0.46) ALDH1A1KDRTP53CYP3A4HTT
SCHEMBL4479411 0.70 MAP3K11 (0.48) ALDH1A1CYP3A4KDM4ECLK1DYRK1A
SCHEMBL4491792 0.69 MEN1 (0.57) KDRPDGFRBMAPTRAB9ANPSR1
SCHEMBL4470895 0.69 DYRK1A (0.48) ALDH1A1CYP3A4HTTKDM4EMAPT
SCHEMBL4482796 0.69 KDR (0.53) ALDH1A1KDRPDGFRBKIF11RAB9A

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 282/4885KDR 2379/4885MDM4 1751/4885

“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.