SCHEMBL3211380

SCHEMBL3211380

O=CNc1cccc(-c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
LTB4R Q15722 2/20 0.43
KDM5A P29375 1/20 0.43
CNR1 P21554 3/20 0.42
CBS P35520 1/20 0.41
ACLY P53396 1/20 0.41
KMO O15229 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4429931 0.85 TRIM24 (0.59) TRIM24TRIM33KDM5AKMOMEN1
SCHEMBL3205630 0.81 TSHR (0.55) LTB4RKMOMEN1ALDH1A1KMT2A
SCHEMBL3221110 0.81 TRIM24 (0.71) TRIM24TRIM33LTB4RKMORXRA
SCHEMBL3216304 0.79 EGFR (0.51) TRIM24TRIM33KMORXRARXRB
SCHEMBL3211804 0.78 KMO (0.62) TRIM24TRIM33LTB4RKMOMEN1
SCHEMBL3200062 0.78 TSHR (0.59) LTB4RKMOALDH1A1KMT2AMAPT
SCHEMBL3208925 0.76 BCL2 (0.55) KMONPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6254017 0.76 TSHR (0.61) KMOMEN1NPC1ALDH1A1RAB9A
SCHEMBL171243 0.74 RAB9A (0.55) KDM5AMEN1NPC1ALDH1A1RAB9A
SCHEMBL8967589 0.74 ALDH1A1 (0.64) CNR1MEN1ALDH1A1KMT2A

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 TRIM24 1351/4885TRIM33 573/4885LTB4R 4576/4885

“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.