SCHEMBL5456686

SCHEMBL5456686

O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 5/20 0.56
TP53 P04637 2/20 0.48
CASP1 P29466 1/20 0.48
CDC42 P60953 1/20 0.47
MAPT P10636 2/20 0.46
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5459687 0.95 RB1 (0.57) RB1TP53CASP1CDC42MAPT
SCHEMBL5456615 0.91 BRD3 (0.49) RB1TP53CASP1MAPTBRD3
SCHEMBL5456622 0.91 RB1 (0.61) RB1TP53CASP1CDC42MAPT
SCHEMBL5468198 0.85 RB1 (0.53) RB1TP53CASP1MAPTMAPK1
SCHEMBL5456566 0.85 RB1 (0.56) RB1TP53CASP1MAPTMAPK1
SCHEMBL5451949 0.85 RB1 (0.56) RB1TP53CASP1MAPTMAPK1
SCHEMBL5449883 0.85 RB1 (0.61) RB1TP53CASP1CDC42MAPT
SCHEMBL5456919 0.85 PARP1 (0.52) RB1TP53CASP1MAPTMAPK1
SCHEMBL5468069 0.84 RB1 (0.55) RB1TP53CASP1MAPTMAPK1
SCHEMBL5451412 0.84 RB1 (0.56) RB1TP53CASP1MAPTMAPK1

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 RB1 1821/4885TP53 1204/4885CASP1 1735/4885

“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.