SCHEMBL4874753

SCHEMBL4874753

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSCC4)ccc3n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 2/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.35
ACACA Q13085 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 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 0.94 KMT2A (0.46) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4872104 0.92 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4868356 0.91 MAPT (0.35) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4872449 0.89 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4876271 0.88 HPGD (0.31) ALDH1A1SMN1; SMN2RAB9AKMT2AHPGD
SCHEMBL4874739 0.87 KMT2A (0.36) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4868467 0.85 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3938012 0.85 KCNH2 (0.35) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL4874047 0.85 TP53 (0.44) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4874071 0.85 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1

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.