SCHEMBL5456569

SCHEMBL5456569

Cc1ccc(CNC2CCCc3c2[nH]c2ccc(C(=O)NCc4cccnc4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MMP13 P45452 1/20 0.48
KCNJ1 P48048 1/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.46
PARP1 P09874 1/20 0.46
KMT2A Q03164 1/20 0.45
PDE4B Q07343 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL5448977 0.93 CDC42 (0.48) GAAALDH1A1GLAHPGDKDM4E
SCHEMBL5461879 0.93 GAA (0.51) GAACASP6ALDH1A1MMP13KCNJ1
SCHEMBL14361241 0.92 BRD3 (0.47) GAAMAPTHTTNAMPTPARP1
SCHEMBL5461870 0.88 ROCK2 (0.47) NAMPTPARP1ROCK2ROCK1
SCHEMBL5460486 0.87 TRPV1 (0.48) GAACASP6ALDH1A1LMNAGLA
SCHEMBL5459638 0.87 GAA (0.47) GAACASP6ALDH1A1LMNAGLA
SCHEMBL5454096 0.86 CDC42 (0.50) GAACASP6ALDH1A1GLAHPGD
SCHEMBL5446986 0.86 ALDH1A1 (0.49) GAAALDH1A1LMNAGLAHPGD
SCHEMBL5455629 0.86 PARP1 (0.44) GAAALDH1A1GLAHPGDKDM4E
SCHEMBL5445777 0.86 ROCK2 (0.43) GAAALDH1A1GLAHPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885CASP6 3264/4885ALDH1A1 2322/4885

“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.