SCHEMBL4877518

SCHEMBL4877518

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc3nc(-c4ccc(Cl)s4)ccc3c1)n2CC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRIN2B Q13224 5/20 0.34
HRH1 P35367 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
LTA4H P09960 1/20 0.32
VDR P11473 1/20 0.32
SRC P12931 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.32
SMO Q99835 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL5197984 0.87 F10 (0.37) NPC1RAB9AGRIN2BHRH1BRD4
SCHEMBL4877524 0.87 GRIN2B (0.39) NPC1RAB9AGRIN2BBRD4CREBBP
SCHEMBL3931763 0.86 GRIN2B (0.39) GRIN2BHRH1BRD4CREBBPTP53
SCHEMBL3931408 0.86 KCNH2 (0.37) GRIN2BHRH1BRD4CREBBPTP53
SCHEMBL4875180 0.86 KCNH2 (0.38) GRIN2BHRH1BRD4CREBBPTP53
SCHEMBL4876035 0.86 GRIN2B (0.39) GRIN2BHRH1BRD4CREBBPTP53
SCHEMBL4875162 0.84 BRD4 (0.43) GRIN2BBRD4TP53EGFRTYMS
SCHEMBL4868404 0.84 MAOA (0.37) NPC1RAB9ABRD4CREBBPALDH1A1
SCHEMBL4868085 0.84 F10 (0.33) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL2997041 0.83 MAPK1 (0.44) NPC1RAB9AHRH1BRD4TP53

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 NPC1 679/4885RAB9A 1055/4885GRIN2B 3420/4885

“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.