SCHEMBL4876586

SCHEMBL4876586

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSC4)ccc3n2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
GRIN2B Q13224 2/20 0.31
COMT P21964 1/20 0.31
DPP4 P27487 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL3938012 0.96 KCNH2 (0.35) KCNH2HRH3HPGDBRD4CREBBP
SCHEMBL4876223 0.91 GRIN2B (0.39) KCNH2HRH3HPGDBRD4CREBBP
SCHEMBL4876347 0.91 GRIN2B (0.39) KCNH2HRH3HPGDBRD4CREBBP
SCHEMBL3934917 0.91 GRIN2B (0.38) KCNH2HRH3HPGDGRIN2BTSHR
SCHEMBL4877156 0.90 KCNH2 (0.36) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL4878279 0.90 KCNH2 (0.35) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL3931413 0.89 BRD4 (0.42) HPGDBRD4CREBBPGRIN2BTSHR
SCHEMBL4879016 0.89 KMT2A (0.36) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL4868321 0.89 KCNH2 (0.38) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL4877246 0.88 KCNH2 (0.34) KCNH2HRH3BRD4CREBBPGRIN2B

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 4258/4885HPGD 2973/4885

“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.