SCHEMBL4870899

SCHEMBL4870899

COc1ccc(F)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCOCC5)CC4)ccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CBX7 O95931 2/20 0.37
CDYL2 Q8N8U2 2/20 0.37
CDYL Q9Y232 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.36
BRD4 O60885 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 4/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CREBBP Q92793 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
SMO Q99835 1/20 0.34
FFAR1 O14842 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL4877781 0.92 ACHE (0.43) ACHECBX7CDYL2CDYLL3MBTL1
SCHEMBL4870801 0.91 CBX7 (0.39) ACHECBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4878179 0.91 PIK3CA (0.42) ACHECBX7CDYL2CDYLL3MBTL1
SCHEMBL4870887 0.90 CBX7 (0.37) ACHECBX7CDYL2CDYLL3MBTL1
SCHEMBL4868713 0.89 TDP1 (0.42) BRD4MAPTALDH1A1TDP1LMNA
SCHEMBL4877137 0.88 CBX7 (0.39) ACHECBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4875169 0.86 BRD4 (0.44) L3MBTL1BRD4MAPTALDH1A1ALOX15
SCHEMBL4877171 0.85 PIK3CA (0.43) ACHECBX7CDYL2CDYLTDP1
SCHEMBL4875364 0.85 TP53 (0.34) MAPTALDH1A1TDP1LMNANPSR1
SCHEMBL3928018 0.85 GRIN2B (0.42) BRD4ALDH1A1LMNACREBBPGRIN2B

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 ACHE 2191/4885CBX7 2500/4885CDYL2 4283/4885

“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.