SCHEMBL3208925

SCHEMBL3208925

O=C(O)c1ccc(Cl)c(-c2ccc(-c3cccc(CO)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.55
ACMSD Q8TDX5 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGER4 P35408 2/20 0.46
NR4A2 P43354 1/20 0.46
PRKCI P41743 1/20 0.45
AOC3 Q16853 2/20 0.45
KMO O15229 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3207475 0.94 SMN1; SMN2 (0.50) BCL2ACMSDSMN1; SMN2NPC1MAPT
SCHEMBL3217027 0.87 PRKAB2 (0.51) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL3211520 0.86 AOC3 (0.55) BCL2AOC3
SCHEMBL3218450 0.85 PRKAB2 (0.52) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL3205630 0.85 TSHR (0.55) SMN1; SMN2MAPTKMORXRARXRB
SCHEMBL29784246 0.85 BCL2 (0.73) BCL2ACMSDSMN1; SMN2PTGER4PRKCI
SCHEMBL4140814 0.85 BCL2 (0.73) BCL2ACMSDSMN1; SMN2PTGER4PRKCI
SCHEMBL3216304 0.83 EGFR (0.51) KMORXRARXRBTSHR
SCHEMBL3211804 0.82 KMO (0.62) KMORXRARXRBTSHRLMNA
SCHEMBL3200062 0.82 TSHR (0.59) MAPTKMORXRARXRBTSHR

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B BCL2 290/4885ACMSD 4840/4885SMN1; SMN2 3153/4885

“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.