SCHEMBL774954

SCHEMBL774954

COc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
KCNQ3 O43525 4/20 0.54
KCNQ2 O43526 4/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.51

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
SCHEMBL775074 0.81 NPC1 (0.62) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL3200374 0.81 ABL1 (0.55) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL775843 0.80 MEN1 (0.57) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL776000 0.80 MEN1 (0.70) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL777653 0.80 MEN1 (0.64) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL3788719 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL775239 0.79 ROCK2 (0.61) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL3203494 0.79 ABL1 (0.63) SMN1; SMN2MEN1KMT2ACASP3SENP8
SCHEMBL5261683 0.78 NPC1 (0.67) MEN1KMT2AKCNQ3KCNQ2KCNE1
SCHEMBL775321 0.78 MEN1 (0.64) SMN1; SMN2MEN1KMT2ACASP3SENP8

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 10 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 disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP 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 SMN1; SMN2 206/4885MEN1 40/4885KMT2A 3661/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 3153/4885MEN1 2335/4885KMT2A 764/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 SMN1; SMN2 206/4885MEN1 40/4885KMT2A 3661/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 SMN1; SMN2 214/4885MEN1 26/4885KMT2A 3489/4885

“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.