SCHEMBL4873757

SCHEMBL4873757

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCCC4)ccc3n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 5/20 0.40
MAPK1 P28482 3/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
DHODH Q02127 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 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
SCHEMBL4874753 0.94 KDM4E (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4872104 0.93 KDM4E (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4872449 0.93 KMT2A (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4874047 0.91 TP53 (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4874071 0.91 ALDH1A1 (0.46) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4879108 0.90 ALDH1A1 (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4868467 0.89 KDM4E (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4877305 0.89 GRIN2B (0.43) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4868476 0.89 GRIN2B (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4873748 0.88 KMT2A (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A

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 KMT2A 4254/4885ALDH1A1 1357/4885KDM4E 3075/4885

“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.