SCHEMBL5473259

SCHEMBL5473259

C=CCNC1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.61
BRD3 Q15059 5/20 0.53
CDC42 P60953 1/20 0.51
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
CASP6 P55212 1/20 0.47
PRMT5 O14744 1/20 0.47
CYP2D6 P10635 1/20 0.46
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5497232 0.83 GAA (0.52) RB1BRD3CDC42GAAMEN1
SCHEMBL4196304 0.81 RB1 (0.62) RB1BRD3CDC42GAASIRT2
SCHEMBL22135853 0.81 RB1 (0.62) RB1BRD3CDC42GAASIRT2
SCHEMBL4191431 0.81 RB1 (0.62) RB1BRD3CDC42GAASIRT2
Hydrochloric Acid SCHEMBL4162946 0.80 RB1 (0.63) RB1BRD3CDC42GAASIRT2
Hydrochloric Acid SCHEMBL4160613 0.80 RB1 (0.63) RB1BRD3CDC42GAASIRT2
Hydrochloric Acid SCHEMBL15265307 0.80 RB1 (0.63) RB1BRD3CDC42GAASIRT2
SCHEMBL4192405 0.79 RB1 (0.60) RB1BRD3CDC42GAASIRT2
SCHEMBL2320201 0.78 RB1 (0.70) RB1BRD3CDC42GAAMEN1
SCHEMBL4192442 0.78 RB1 (0.58) RB1BRD3CDC42GAASIRT2

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
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO 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 529/4885CDC42 1241/4885

“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.