SCHEMBL775033

SCHEMBL775033

COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccc(CN(C)C)cc4)cc3)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
ABL1 P00519 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL774653 0.99 SMN1; SMN2 (0.53) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL775121 0.92 CLK2 (0.50) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL775258 0.92 KMT2A (0.58) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL774062 0.90 MEN1 (0.56) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL775228 0.89 MEN1 (0.57) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL777653 0.86 MEN1 (0.64) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL776000 0.86 MEN1 (0.70) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL775074 0.86 NPC1 (0.62) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL775239 0.85 ROCK2 (0.61) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2
SCHEMBL773257 0.84 MEN1 (0.56) KMT2AMEN1KEAP1NFE2L2SMN1; SMN2

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 8 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
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP 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
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 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 (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 KMT2A 3661/4885MEN1 40/4885KEAP1 202/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KMT2A 3661/4885MEN1 40/4885KEAP1 202/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 KMT2A 3489/4885MEN1 26/4885KEAP1 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.