SCHEMBL5458904

SCHEMBL5458904

c1ccc(-c2ccc3[nH]c4c(c3c2)CCCC4NC2CCCCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.64
DHODH Q02127 1/20 0.50
CDC42 P60953 1/20 0.50
CYP2D6 P10635 2/20 0.45
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
KCNH2 Q12809 2/20 0.42
BRD3 Q15059 3/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
MAPK1 P28482 1/20 0.40
SSTR3 P32745 1/20 0.38
PRMT5 O14744 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
SCHEMBL5456637 0.85 RB1 (0.72) RB1DHODHCDC42CYP2D6MAPT
SCHEMBL5466558 0.83 RB1 (0.62) RB1DHODHCDC42CYP2D6MAPT
SCHEMBL5456543 0.82 RB1 (0.60) RB1DHODHCDC42CYP2D6MAPT
SCHEMBL5459705 0.81 CDC42 (0.62) RB1DHODHCDC42CYP2D6KCNH2
SCHEMBL5456581 0.79 DHODH (0.64) RB1DHODHCYP2D6MAPTALOX15
SCHEMBL5459653 0.79 RB1 (0.57) RB1DHODHCDC42CYP2D6MAPT
SCHEMBL4196380 0.79 RB1 (1.00) RB1CDC42CYP2D6MAPTALOX15
Hydrochloric Acid SCHEMBL4162233 0.78 RB1 (1.00) RB1CDC42CYP2D6MAPTALOX15
SCHEMBL5394699 0.77 RB1 (0.69) RB1DHODHCDC42CYP2D6MAPT
SCHEMBL5456640 0.77 RB1 (0.69) RB1MAPTALOX15SMN1; SMN2MEN1

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 1821/4885DHODH 1635/4885CDC42 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.