SCHEMBL775009

SCHEMBL775009

COc1ccc(NC(=O)c2ccc(Cl)c(-c3cccc(C(=O)O)c3)c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
KEAP1 Q14145 1/20 0.63
NFE2L2 Q16236 1/20 0.63
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
LMNA P02545 3/20 0.52
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 2/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3218351 0.95 MEN1 (0.68) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL774050 0.91 MEN1 (0.62) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL775208 0.91 KMT2A (0.64) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL775321 0.89 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL777653 0.89 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL774625 0.87 MEN1 (0.67) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL3203494 0.86 ABL1 (0.63) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL773490 0.85 MEN1 (0.57) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL775028 0.85 MEN1 (0.54) MEN1KMT2AKEAP1NFE2L2CASP3
SCHEMBL773286 0.84 MEN1 (0.70) MEN1KMT2AKEAP1NFE2L2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US disclosed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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 (4 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 MEN1 40/4885KMT2A 3661/4885KEAP1 202/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B MEN1 2335/4885KMT2A 764/4885KEAP1 1296/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 MEN1 40/4885KMT2A 3661/4885KEAP1 202/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 MEN1 26/4885KMT2A 3489/4885KEAP1 325/4885

“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.