SCHEMBL5451546

SCHEMBL5451546

O=C(CC1CCCC1)Nc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 5/20 0.55
BRD3 Q15059 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
CYP2D6 P10635 2/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 2/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.45
EPHX2 P34913 2/20 0.43
GAA P10253 1/20 0.43
CASP6 P55212 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
SCHEMBL5456655 0.89 RB1 (0.56) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5468135 0.88 RB1 (0.55) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5468005 0.86 RB1 (0.51) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5460471 0.85 RB1 (0.58) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5466568 0.85 RB1 (0.58) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5452796 0.84 RB1 (0.56) RB1BRD3SMN1; SMN2CYP2D6MAPT
SCHEMBL5449016 0.84 BRD3 (0.51) RB1BRD3GAA
SCHEMBL5445869 0.84 RB1 (0.57) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5449914 0.83 RB1 (0.56) RB1BRD3SMN1; SMN2CYP2D6KMT2A
SCHEMBL5475990 0.83 RB1 (0.54) RB1BRD3SMN1; SMN2RAB9ACYP2D6

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 1821/4885BRD3 529/4885SMN1; 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.