SCHEMBL5454061

SCHEMBL5454061

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.53
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALOX15 P16050 2/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD3 Q15059 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.42
CASP6 P55212 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
DHODH Q02127 1/20 0.41
CDC42 P60953 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
SCHEMBL5451949 0.87 RB1 (0.56) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5456566 0.87 RB1 (0.56) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5468069 0.87 RB1 (0.55) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5451412 0.86 RB1 (0.56) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5456919 0.85 PARP1 (0.52) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5449883 0.85 RB1 (0.61) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5459696 0.84 RB1 (0.60) RB1MAPTSMN1; SMN2ALOX15MEN1
SCHEMBL5456622 0.84 RB1 (0.61) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5468198 0.84 RB1 (0.53) RB1MAPTSMN1; SMN2ALOX15TP53
SCHEMBL5450424 0.83 RAB9A (0.60) RB1SMN1; SMN2MEN1GLAKMT2A

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 1821/4885MAPT 3817/4885SMN1; SMN2 4824/4885

“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.