SCHEMBL4872000

SCHEMBL4872000

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4)ccc3n2)o1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4877178 0.99 GRIN2B (0.38) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4877372 0.93 KCNH2 (0.37) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4871987 0.87 KCNH2 (0.38) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4868476 0.87 GRIN2B (0.40) GRIN2BTSHRALDH1A1HPGDKMT2A
SCHEMBL4866941 0.87 SCN9A (0.35) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4876223 0.87 GRIN2B (0.39) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4876725 0.87 KMT2A (0.41) GRIN2BTSHRALDH1A1HPGDKMT2A
SCHEMBL3934917 0.86 GRIN2B (0.38) GRIN2BKCNH2HRH3TSHRALDH1A1
SCHEMBL4877169 0.86 KCNH2 (0.38) GRIN2BKCNH2HRH3BRD4CREBBP
SCHEMBL4875250 0.86 KMT2A (0.41) GRIN2BTSHRALDH1A1HPGDKMT2A

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 GRIN2B 3420/4885KCNH2 2647/4885HRH3 4258/4885

“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.