SCHEMBL5458538

SCHEMBL5458538

c1cc2[nH]c3c(c2cc1CNC1CCCCC1)CCCC3NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.63
GAA P10253 1/20 0.48
CASP6 P55212 1/20 0.48
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
CDC42 P60953 1/20 0.47
BRD3 Q15059 6/20 0.46
PRMT5 O14744 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 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
SCHEMBL5466578 0.90 RB1 (0.62) RB1GAACASP6MAPTALOX15
SCHEMBL5454792 0.88 RB1 (0.60) RB1GAACASP6MAPTALOX15
SCHEMBL5460501 0.88 RB1 (0.60) RB1GAACASP6MAPTALOX15
SCHEMBL5453907 0.87 RB1 (0.58) RB1GAACASP6MAPTALOX15
SCHEMBL5468093 0.86 RB1 (0.57) RB1MAPTALOX15SMN1; SMN2MEN1
SCHEMBL5451405 0.85 RB1 (0.56) RB1GAACASP6MAPTALOX15
SCHEMBL5456595 0.85 RB1 (0.56) RB1GAACASP6MAPTALOX15
SCHEMBL5456906 0.84 RB1 (0.54) RB1GAACASP6MAPTALOX15
SCHEMBL14361158 0.84 RB1 (0.54) RB1GAACASP6MAPTALOX15
SCHEMBL5454098 0.84 RB1 (0.54) RB1GAACASP6MAPTALOX15

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 1821/4885GAA 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.