SCHEMBL775074

SCHEMBL775074

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
ABL1 P00519 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KCNQ3 O43525 4/20 0.50
KCNQ2 O43526 4/20 0.50

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
SCHEMBL777653 0.91 MEN1 (0.64) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL775843 0.91 MEN1 (0.57) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL776000 0.91 MEN1 (0.70) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL775239 0.90 ROCK2 (0.61) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL775343 0.89 KMT2A (0.53) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL774062 0.89 MEN1 (0.56) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL773257 0.89 MEN1 (0.56) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL776210 0.89 USP28 (0.54) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL3200374 0.88 ABL1 (0.55) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL775344 0.88 MEN1 (0.52) NPC1RAB9AMEN1KMT2AKEAP1

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 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-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
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 (3 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 NPC1 4661/4885RAB9A 2135/4885MEN1 40/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 NPC1 4661/4885RAB9A 2135/4885MEN1 40/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 NPC1 4689/4885RAB9A 2227/4885MEN1 26/4885

“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.