SCHEMBL774517

SCHEMBL774517

COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL776210 0.89 USP28 (0.54) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL775074 0.86 NPC1 (0.62) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL775343 0.84 KMT2A (0.53) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL777653 0.84 MEN1 (0.64) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL776000 0.84 MEN1 (0.70) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL775843 0.84 MEN1 (0.57) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL774653 0.84 SMN1; SMN2 (0.53) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL775239 0.83 ROCK2 (0.61) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL775033 0.83 KMT2A (0.52) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL775344 0.83 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10

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 14 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
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 — — EP claimed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 — — WO 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-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
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

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 LMNA 751/4885ALDH1A1 1939/4885MAPT 2839/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B LMNA 1934/4885ALDH1A1 3255/4885MAPT 2738/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 LMNA 751/4885ALDH1A1 1939/4885MAPT 2839/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 LMNA 756/4885ALDH1A1 2043/4885MAPT 3315/4885

“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.

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