SCHEMBL4871987

SCHEMBL4871987

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4)ccc3n2)o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMO Q99835 1/20 0.32
GRIN2B Q13224 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F10 P00742 1/20 0.31
SCN7A Q01118 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4877169 0.99 KCNH2 (0.38) KCNH2HRH3ALDH1A1KMT2AGAA
SCHEMBL4877361 0.95 KCNH2 (0.37) KCNH2HRH3ALDH1A1KMT2AGAA
SCHEMBL4866924 0.89 KCNH2 (0.34) KCNH2HRH3
SCHEMBL4868456 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4876216 0.88 KCNH2 (0.39) KCNH2HRH3ALDH1A1KMT2AGAA
SCHEMBL4874030 0.88 KCNH2 (0.39) KCNH2HRH3ALDH1A1KMT2AGAA
SCHEMBL4872000 0.87 GRIN2B (0.38) KCNH2HRH3ALDH1A1KMT2AGAA
SCHEMBL4871957 0.87 ALDH1A1 (0.35) ALDH1A1KMT2AGAASMN1; SMN2GRIN2B
SCHEMBL4866846 0.86 KCNH2 (0.37) KCNH2HRH3KMT2A
SCHEMBL4876338 0.86 KCNH2 (0.39) KCNH2HRH3ALDH1A1KMT2AGAA

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 3 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
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 4258/4885ALDH1A1 1357/4885

“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.