SCHEMBL4868321

SCHEMBL4868321

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
GRM5 P41594 2/20 0.33
SMO Q99835 1/20 0.33
GRIN2B Q13224 3/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL4876223 0.93 GRIN2B (0.39) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL4876347 0.93 GRIN2B (0.39) KCNH2HRH3BRD4CREBBPGRM5
SCHEMBL3934917 0.92 GRIN2B (0.38) KCNH2HRH3GRIN2B
SCHEMBL4877286 0.92 POLB (0.41) KCNH2HRH3GRIN2BPIK3CAMTOR
SCHEMBL4874557 0.92 CBX7 (0.38) KCNH2HRH3BRD4CREBBPGRM5
SCHEMBL4878279 0.91 KCNH2 (0.35) KCNH2HRH3BRD4CREBBPGRM5
SCHEMBL3938012 0.91 KCNH2 (0.35) KCNH2HRH3BRD4CREBBPGRM5
SCHEMBL3931413 0.91 BRD4 (0.42) BRD4CREBBPGRIN2B
SCHEMBL4877156 0.90 KCNH2 (0.36) KCNH2HRH3BRD4CREBBPGRM5
SCHEMBL4874715 0.90 BRD4 (0.38) KCNH2HRH3BRD4CREBBPSMO

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 KCNH2 2647/4885HRH3 4258/4885BRD4 3577/4885

“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.