SCHEMBL5454075

SCHEMBL5454075

O=C(NCc1ccncc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RB1 P06400 5/20 0.53
PDE4B Q07343 1/20 0.47
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
NAMPT P43490 2/20 0.43
EPHX1 P07099 1/20 0.43
MAPK3 P27361 1/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRD3 Q15059 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL5456622 0.91 RB1 (0.61) RB1PDE4BMAPTMAPK1TP53
SCHEMBL5454039 0.91 RB1 (0.53) RB1PDE4BMAPTDHODHALDH1A1
SCHEMBL5454765 0.91 RB1 (0.53) RB1PDE4BMAPTDHODHALDH1A1
SCHEMBL5447153 0.90 RB1 (0.53) RB1PDE4BMAPTDHODHALDH1A1
SCHEMBL14361170 0.89 RB1 (0.51) RB1PDE4BMAPTMAPK1TP53
SCHEMBL5460539 0.87 PDE4B (0.53) RB1PDE4BMAPTTP53CASP1
SCHEMBL5459718 0.87 RB1 (0.51) RB1PDE4BMAPTMAPK1TP53
SCHEMBL5455546 0.85 RAB9A (0.55) RB1MAPTTP53CASP1DHODH
SCHEMBL5456566 0.85 RB1 (0.56) RB1MAPTMAPK1TP53CASP1
SCHEMBL5451949 0.85 RB1 (0.56) RB1MAPTMAPK1TP53CASP1

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 1821/4885PDE4B 2782/4885MAPT 3817/4885

“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.