SCHEMBL4874956

SCHEMBL4874956

O=C(Cn1c(-c2ccc3nc(-c4ccccc4F)ccc3c2)c(C2CCCCC2)c2sc(C(=O)O)cc21)NCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 3/20 0.38
MAPK1 P28482 1/20 0.38
MMP12 P39900 1/20 0.37
ABL1 P00519 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE5A O76074 1/20 0.35
AVPR1B P47901 1/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4878870 0.91 PDE5A (0.42) ALDH1A1KDM4EHPGDHSD17B10SMO
SCHEMBL4867746 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4877105 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4874969 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMO
SCHEMBL4877243 0.89 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10SMO
SCHEMBL4870548 0.88 CD274 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMO
SCHEMBL3931763 0.88 GRIN2B (0.39) ALDH1A1SMOSMN1; SMN2GAAMAPK1
SCHEMBL4876035 0.87 GRIN2B (0.39) SMOMAPK1
SCHEMBL4876068 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMO
SCHEMBL4877164 0.85 AVPR1B (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
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.