SCHEMBL5447177

SCHEMBL5447177

Brc1ccc2c3c([nH]c2c1)C(NCCc1ccccc1)CCC3

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CDC42 P60953 1/20 0.53
KCNH2 Q12809 1/20 0.51
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
RB1 P06400 6/20 0.45
PRMT5 O14744 2/20 0.44
DHODH Q02127 1/20 0.42
BRD3 Q15059 5/20 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
SCHEMBL4196072 0.91 CYP2D6 (0.67) CYP2D6CDC42KCNH2GAACASP6
Hydrochloric Acid SCHEMBL4157190 0.90 CYP2D6 (0.66) CYP2D6CDC42KCNH2GAACASP6
SCHEMBL4196306 0.89 CYP2D6 (0.57) CYP2D6CDC42KCNH2GAACASP6
SCHEMBL4184731 0.88 CYP2D6 (0.63) CYP2D6CDC42KCNH2GAACASP6
Hydrochloric Acid SCHEMBL4157057 0.88 CYP2D6 (0.56) CYP2D6CDC42KCNH2GAACASP6
Hydrochloric Acid SCHEMBL4151426 0.87 CYP2D6 (0.62) CYP2D6CDC42KCNH2GAACASP6
SCHEMBL4192405 0.86 RB1 (0.60) CYP2D6CDC42GAACASP6RB1
Hydrochloric Acid SCHEMBL4157308 0.85 RB1 (0.60) CYP2D6CDC42GAACASP6RB1
SCHEMBL4196248 0.84 CYP2D6 (0.57) CYP2D6CDC42KCNH2GAACASP6
Hydrochloric Acid SCHEMBL4154661 0.83 CYP2D6 (0.56) CYP2D6CDC42KCNH2GAACASP6

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 CYP2D6 670/4885CDC42 1241/4885KCNH2 3684/4885

“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.