SCHEMBL4865005

SCHEMBL4865005

Cc1cc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CC[S+]([O-])CC4)ccc3n2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2B Q13224 3/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL4877360 0.90 KDM4E (0.37) KDM4ESMN1; SMN2GRIN2BBRD4CREBBP
SCHEMBL4877246 0.88 KCNH2 (0.34) GRIN2BBRD4CREBBPGRM5
SCHEMBL14269777 0.87 SMN1; SMN2 (0.31) KDM4ESMN1; SMN2
SCHEMBL4876431 0.87 GRM5 (0.34) KDM4ESMN1; SMN2GRIN2BGRM5
SCHEMBL4878287 0.87 POLB (0.41) KDM4ESMN1; SMN2GRIN2B
SCHEMBL4867721 0.86 CBX7 (0.38) KDM4ESMN1; SMN2GRIN2BBRD4CREBBP
SCHEMBL4876725 0.83 KMT2A (0.41) SMN1; SMN2GRIN2B
SCHEMBL4875250 0.83 KMT2A (0.41) SMN1; SMN2GRIN2B
SCHEMBL4868476 0.81 GRIN2B (0.40) KDM4ESMN1; SMN2GRIN2BGRM5
SCHEMBL4877153 0.80 GRIN2B (0.40) GRIN2B

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 3075/4885SMN1; SMN2 1929/4885GRIN2B 3420/4885

“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.