SCHEMBL5454743

SCHEMBL5454743

O=C(NCCCN1CCCC1=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
TYRO3 Q06418 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
NAMPT P43490 2/20 0.44
FSHR P23945 1/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
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
SCHEMBL5456584 0.94 ALDH1A1 (0.53) ALDH1A1KDM4ETYRO3LMNASMN1; SMN2
SCHEMBL5458559 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ETYRO3LMNASMN1; SMN2
SCHEMBL5454063 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5461869 0.85 GAA (0.49) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL14388669 0.85 USP2 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5466668 0.85 MAPT (0.46) ALDH1A1KDM4ETYRO3LMNASMN1; SMN2
SCHEMBL5461930 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5453994 0.84 GAA (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5452894 0.82 MAPK1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5448116 0.82 MAPT (0.48) ALDH1A1KDM4ETYRO3LMNASMN1; 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 ALDH1A1 2322/4885KDM4E 2869/4885TYRO3 3138/4885

“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.