SCHEMBL4876035

SCHEMBL4876035

O=C(O)c1cc2c(s1)c(C1CCCC1)c(-c1ccc3nc(-c4ccccc4F)ccc3c1)n2CC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.39
HRH1 P35367 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 1/20 0.35
MTOR P42345 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
EGFR P00533 1/20 0.34
TYMS P04818 1/20 0.34
LTA4H P09960 1/20 0.34
VDR P11473 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 1/20 0.34
RIPK1 Q13546 1/20 0.33
SMO Q99835 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
SCHEMBL3931763 0.99 GRIN2B (0.39) GRIN2BHRH1CYP3A4CYP2C19BRD4
SCHEMBL4870793 0.94 CBX7 (0.37) GRIN2BHRH1CYP3A4CYP2C19BRD4
SCHEMBL4877145 0.94 GRIN2B (0.37) GRIN2BHRH1SMO
SCHEMBL4875214 0.91 KMT2A (0.33) GRIN2BHRH1ALOX5APFEN1SMO
SCHEMBL3928018 0.89 GRIN2B (0.42) GRIN2BCYP3A4CYP2C19BRD4CREBBP
SCHEMBL4877332 0.88 SCN9A (0.35) GRIN2BHRH1ALOX5APFEN1SMO
SCHEMBL4874956 0.87 ALDH1A1 (0.40) MAPK1SMO
SCHEMBL4874979 0.87 CYP2D6 (0.30) HRH1
SCHEMBL4877126 0.86 CBX7 (0.37) GRIN2BBRD4CREBBPTP53SMO
SCHEMBL4868332 0.86 ALDH1A1 (0.37) GRIN2BHRH1MAPK1SMO

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 GRIN2B 3420/4885HRH1 3900/4885CYP3A4 1081/4885

“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.