SCHEMBL5454753

SCHEMBL5454753

O=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.56
RB1 P06400 4/20 0.51
HTR3A P46098 3/20 0.51
CACNA1G O43497 1/20 0.51
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
MAPT P10636 1/20 0.46
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
MMP9 P14780 1/20 0.45
TLR8 Q9NR97 1/20 0.45

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
SCHEMBL5450266 1.00 PARP1 (0.56) PARP1RB1HTR3ACACNA1GKMT2A
SCHEMBL5463493 0.93 PARP1 (0.55) PARP1RB1KMT2ATP53CASP1
SCHEMBL5458972 0.88 PARP1 (0.52) PARP1RB1HTR3AKMT2AMAPT
SCHEMBL5468198 0.85 RB1 (0.53) RB1KMT2ATP53CASP1MAPT
SCHEMBL5451949 0.85 RB1 (0.56) RB1KMT2ATP53CASP1MAPT
SCHEMBL5456566 0.85 RB1 (0.56) RB1KMT2ATP53CASP1MAPT
SCHEMBL5452894 0.85 MAPK1 (0.51) PARP1RB1KMT2AMAPT
SCHEMBL5449883 0.85 RB1 (0.61) RB1KMT2ATP53CASP1MAPT
SCHEMBL5456919 0.85 PARP1 (0.52) PARP1RB1TP53CASP1MAPT
SCHEMBL5468069 0.84 RB1 (0.55) RB1KMT2ATP53CASP1MAPT

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 709/4885RB1 1821/4885HTR3A 1237/4885

“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.