SCHEMBL4871957

SCHEMBL4871957

Cc1nccnc1-c1ccc2cc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N3CCCCC3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 3/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL4874244 0.90 CASP3 (0.34) GRIN2BGRIN1MAPT
SCHEMBL4868456 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4868731 0.89 GRIN2B (0.36) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL14294216 0.88 KCNH2 (0.31)
SCHEMBL4874030 0.88 KCNH2 (0.39) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4876216 0.88 KCNH2 (0.39) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4871965 0.88 GRIN2B (0.40) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4871987 0.87 KCNH2 (0.38) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4876338 0.87 KCNH2 (0.39) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4879087 0.87 PTGS2 (0.37) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
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 ALDH1A1 1357/4885KMT2A 4254/4885GAA 66/4885

“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.