SCHEMBL4872850

SCHEMBL4872850

Cc1nc(C)c(-c2ccc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N3CCOCC3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
GRIN2B Q13224 4/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CLK1 P49759 1/20 0.35
RAB9A P51151 1/20 0.35
GRIN1 Q05586 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
LTA4H P09960 1/20 0.35
VDR P11473 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HRH1 P35367 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
SCHEMBL4868424 0.94 CBX7 (0.38) BRD4CREBBPNPC1ALDH1A1TSHR
SCHEMBL3931408 0.90 KCNH2 (0.37) BRD4CREBBPGRIN2BGRIN1MAPT
SCHEMBL2996624 0.89 MAPK1 (0.44) BRD4CREBBPGRIN2BNPC1ALDH1A1
SCHEMBL4875180 0.89 KCNH2 (0.38) BRD4CREBBPGRIN2BGRIN1MAPT
SCHEMBL4875343 0.86 BRD4 (0.33) BRD4CREBBPGRIN2BMAPTTMEM97
SCHEMBL2988730 0.86 MAPK1 (0.43) BRD4CREBBPGRIN2BALDH1A1EGFR
SCHEMBL2997041 0.86 MAPK1 (0.44) BRD4NPC1ALDH1A1RAB9AEGFR
SCHEMBL4872858 0.85 BRD4 (0.45) BRD4CREBBPGRIN2BNPC1ALDH1A1
SCHEMBL424159 0.85 GRIN1 (0.46) GRIN2BNPC1ALDH1A1RAB9AGRIN1
SCHEMBL4878856 0.85 GRIN2B (0.38) BRD4CREBBPGRIN2BGRIN1EGFR

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 BRD4 3577/4885CREBBP 2805/4885GRIN2B 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.