SCHEMBL5456571

SCHEMBL5456571

Brc1ccc2c3c([nH]c2c1)C(NC1CCCCC1)CCC3

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RB1 P06400 9/20 0.69
CYP2D6 P10635 2/20 0.53
KCNH2 Q12809 1/20 0.48
DHODH Q02127 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD3 Q15059 2/20 0.39
GAA P10253 1/20 0.39
CASP6 P55212 1/20 0.39
MAPK1 P28482 1/20 0.39
CDC42 P60953 1/20 0.38

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
SCHEMBL5394699 0.90 RB1 (0.69) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL21998619 0.89 RB1 (0.68) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4194091 0.86 RB1 (0.58) RB1CYP2D6KCNH2DHODHMAPT
Hydrochloric Acid SCHEMBL4157051 0.85 RB1 (0.59) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL16433474 0.83 CYP2D6 (0.56) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4196380 0.82 RB1 (1.00) RB1CYP2D6KCNH2MAPTALOX15
Hydrochloric Acid SCHEMBL4162233 0.81 RB1 (1.00) RB1CYP2D6KCNH2MAPTALOX15
SCHEMBL4147653 0.79 CYP2D6 (0.82) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL21957624 0.79 CYP2D6 (0.55) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL5456549 0.78 ALOX15 (0.70) RB1DHODHMAPTALOX15SMN1; SMN2

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 1821/4885CYP2D6 670/4885KCNH2 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.