SCHEMBL5459705

SCHEMBL5459705

c1ccc(CCNC2CCCc3c2[nH]c2ccc(-c4ccccn4)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.62
GAA P10253 1/20 0.48
CASP6 P55212 1/20 0.48
DHODH Q02127 1/20 0.47
PRMT5 O14744 2/20 0.46
CYP2D6 P10635 2/20 0.45
BRD3 Q15059 6/20 0.43
KCNH2 Q12809 1/20 0.41
RB1 P06400 3/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL5449921 0.87 CDC42 (0.80) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5456587 0.87 CDC42 (0.70) CDC42GAACASP6DHODHPRMT5
SCHEMBL5467904 0.84 CDC42 (0.66) CDC42GAACASP6DHODHPRMT5
SCHEMBL4187019 0.81 GAA (0.72) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5447038 0.81 BRD3 (0.63) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL14361488 0.81 CDC42 (0.61) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL4196072 0.81 CYP2D6 (0.67) CDC42GAACASP6DHODHPRMT5
SCHEMBL5461141 0.81 CDC42 (0.76) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5458904 0.81 RB1 (0.64) CDC42GAACASP6DHODHPRMT5
SCHEMBL4192405 0.80 RB1 (0.60) CDC42GAACASP6PRMT5CYP2D6

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 CDC42 1241/4885GAA 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.