SCHEMBL4876084

SCHEMBL4876084

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)NCCN4CCOCC4)ccc3n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
CLK1 P49759 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MMP12 P39900 1/20 0.38
KMT2A Q03164 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
HTT P42858 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL4874635 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4876068 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4878882 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4877272 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3931413 0.87 BRD4 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4874969 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4870567 0.85 CD274 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4876042 0.84 KDM4E (0.36) ALDH1A1KDM4EHSD17B10HTT
SCHEMBL4877125 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4867756 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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 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.