SCHEMBL5455629

SCHEMBL5455629

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
ROCK2 O75116 3/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
DHODH Q02127 1/20 0.41
ROCK1 Q13464 1/20 0.41
TLR8 Q9NR97 1/20 0.41

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 0.89 CDC42 (0.48) PARP1ALDH1A1KDM4EMAPK1HPGD
SCHEMBL5445897 0.86 GAA (0.46) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL14361241 0.86 BRD3 (0.47) PARP1HTTROCK2CDK1CDK2
SCHEMBL5456569 0.86 GAA (0.49) PARP1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL5461870 0.85 ROCK2 (0.47) PARP1ROCK2CDK1CDK2DHODH
SCHEMBL5454096 0.85 CDC42 (0.50) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5446986 0.85 ALDH1A1 (0.49) PARP1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL5445777 0.84 ROCK2 (0.43) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5460486 0.84 TRPV1 (0.48) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5459638 0.84 GAA (0.47) PARP1ALDH1A1KDM4EMEN1KMT2A

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 PARP1 709/4885ALDH1A1 2322/4885KDM4E 2869/4885

“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.