SCHEMBL4872104

SCHEMBL4872104

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PDE4B Q07343 1/20 0.35
TP53 P04637 1/20 0.35
EGFR P00533 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
SCHEMBL4873757 0.93 KMT2A (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4872449 0.93 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4878306 0.92 PIK3CA (0.40) KDM4ENPSR1DHODHMAPTLMNA
SCHEMBL4866875 0.92 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4874753 0.92 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4877312 0.92 PIK3CA (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4877128 0.90 LMNA (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL4872088 0.88 KMT2A (0.36) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4878029 0.88 SMO (0.34) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL4875677 0.86 GRIN2B (0.34) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA

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 KDM4E 3075/4885ALDH1A1 1357/4885SMN1; SMN2 1929/4885

“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.