SCHEMBL4871965

SCHEMBL4871965

Cc1nccnc1-c1ccc2cc(-c3c(-c4ccccc4)c4sc(C(=O)O)cc4n3CC(=O)N3CCCCC3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.40
PTGS2 P35354 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4868476 0.89 GRIN2B (0.40) GRIN2BMAPK1RAB9ATSHRALDH1A1
SCHEMBL4871957 0.88 ALDH1A1 (0.35) GRIN2BMAPK1RAB9ATSHRALDH1A1
SCHEMBL3934917 0.88 GRIN2B (0.38) GRIN2BPTGS2MAPK1RAB9ATSHR
SCHEMBL4877305 0.87 GRIN2B (0.43) GRIN2BMAPK1RAB9AALDH1A1KMT2A
SCHEMBL4875250 0.87 KMT2A (0.41) GRIN2BPTGS2MAPK1RAB9ATSHR
SCHEMBL4868740 0.87 GRIN2B (0.41) GRIN2BTSHRALDH1A1KMT2AMEN1
SCHEMBL4876223 0.87 GRIN2B (0.39) GRIN2BMAPK1RAB9ATSHRALDH1A1
SCHEMBL4874257 0.87 GRIN2B (0.34) GRIN2B
SCHEMBL4876725 0.87 KMT2A (0.41) GRIN2BMAPK1RAB9ATSHRALDH1A1
SCHEMBL4871889 0.85 GRIN2B (0.41) GRIN2BPTGS2MAPK1RAB9ATSHR

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 3420/4885PTGS2 2888/4885MAPK1 4078/4885

“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.