SCHEMBL5460486

SCHEMBL5460486

CCCCNC1CCCc2c1[nH]c1ccc(C(=O)NCc3cccnc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
GAA P10253 2/20 0.47
CASP6 P55212 1/20 0.47
CDC42 P60953 1/20 0.45
PRMT5 O14744 2/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL5466544 0.97 TRPV1 (0.49) TRPV1GAACASP6CDC42PRMT5
SCHEMBL5460537 0.91 CDC42 (0.49) TRPV1GAACASP6CDC42PARP1
SCHEMBL5445856 0.91 CDC42 (0.48) TRPV1GAACASP6CDC42PARP1
SCHEMBL5459638 0.90 GAA (0.47) GAACASP6CDC42PRMT5PARP1
SCHEMBL5454096 0.89 CDC42 (0.50) TRPV1GAACASP6CDC42PARP1
SCHEMBL5448977 0.88 CDC42 (0.48) GAACDC42PARP1ALDH1A1USP2
SCHEMBL5461879 0.88 GAA (0.51) TRPV1GAACASP6CDC42PRMT5
SCHEMBL5456569 0.87 GAA (0.49) GAACASP6PRMT5PARP1ALDH1A1
SCHEMBL5456586 0.87 BRD3 (0.45) TRPV1GAACASP6CDC42PRMT5
SCHEMBL5459002 0.87 DHODH (0.47) TRPV1GAACASP6CDC42PARP1

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 TRPV1 1967/4885GAA 1417/4885CASP6 3264/4885

“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.