SCHEMBL4872858

SCHEMBL4872858

Cc1nc(C)c(-c2ccc(-c3c(-c4ccccc4)c4sc(C(=O)O)cc4n3CC(=O)N3CCOCC3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
GRIN2B Q13224 4/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
CLK1 P49759 1/20 0.43
POLB P06746 1/20 0.42
PTGS2 P35354 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.40
TYMS P04818 1/20 0.40
LTA4H P09960 1/20 0.40
VDR P11473 1/20 0.40
SRC P12931 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4868434 0.93 CBX7 (0.42) BRD4CREBBPGRIN2BALDH1A1RAB9A
SCHEMBL3931413 0.89 BRD4 (0.42) BRD4CREBBPGRIN2BALDH1A1RAB9A
SCHEMBL2996625 0.88 MAPK1 (0.48) BRD4CREBBPGRIN2BALDH1A1TSHR
SCHEMBL2988735 0.88 MAPK1 (0.49) BRD4CREBBPGRIN2BALDH1A1POLB
SCHEMBL4875347 0.85 GRIN2B (0.38) BRD4CREBBPGRIN2BALDH1A1RAB9A
SCHEMBL4872850 0.85 BRD4 (0.39) BRD4CREBBPGRIN2BALDH1A1RAB9A
SCHEMBL2997044 0.84 EGFR (0.48) BRD4CREBBPGRIN2BALDH1A1POLB
SCHEMBL424160 0.84 PTGS2 (0.48) GRIN2BALDH1A1RAB9ANPC1POLB
SCHEMBL4878860 0.84 GRIN2B (0.46) BRD4CREBBPGRIN2BALDH1A1TSHR
SCHEMBL2995706 0.83 PTGS2 (0.44) BRD4CREBBPGRIN2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.