SCHEMBL5454063

SCHEMBL5454063

O=C(NCCCN1CCCC1=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
NAMPT P43490 1/20 0.47
USP2 O75604 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FSHR P23945 1/20 0.43
CYP2C19 P33261 1/20 0.42
TSHR P16473 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
SCHEMBL5461930 0.94 ALDH1A1 (0.48) ALDH1A1KDM4ELMNANAMPTUSP2
SCHEMBL14388669 0.92 USP2 (0.45) ALDH1A1KDM4ELMNANAMPTUSP2
SCHEMBL5466668 0.92 MAPT (0.46) ALDH1A1KDM4ELMNAUSP2HSD17B10
SCHEMBL5454743 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ELMNANAMPTUSP2
SCHEMBL5461869 0.88 GAA (0.49) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL5458892 0.87 CACNA1G (0.53) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL5458559 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ELMNANAMPTUSP2
SCHEMBL5456584 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ELMNANAMPTUSP2
SCHEMBL5453994 0.84 GAA (0.47) ALDH1A1KDM4ELMNAUSP2HSD17B10
SCHEMBL5448116 0.83 MAPT (0.48) ALDH1A1KDM4ELMNAUSP2HSD17B10

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 ALDH1A1 2322/4885KDM4E 2869/4885LMNA 4432/4885

“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.