SCHEMBL4874969

SCHEMBL4874969

O=C(Cn1c(-c2ccc3nc(-c4ccccc4F)ccc3c2)c(-c2ccccc2)c2sc(C(=O)O)cc21)NCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
ABL1 P00519 3/20 0.39
MMP12 P39900 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4878882 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4877125 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4867756 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4874956 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4877272 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4870567 0.89 CD274 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4876084 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3928018 0.87 GRIN2B (0.42) ALDH1A1HSD17B10POLBMAPK1LMNA
SCHEMBL4874635 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4870801 0.82 CBX7 (0.39) ALDH1A1KDM4EGAAPOLBMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885KDM4E 3075/4885HPGD 2973/4885

“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.