SCHEMBL776000

SCHEMBL776000

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ABL1 P00519 2/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 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
SCHEMBL777653 0.92 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775074 0.91 NPC1 (0.62) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL773286 0.91 MEN1 (0.70) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775239 0.91 ROCK2 (0.61) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL774062 0.90 MEN1 (0.56) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL773257 0.90 MEN1 (0.56) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775843 0.89 MEN1 (0.57) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775228 0.88 MEN1 (0.57) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775321 0.88 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL775343 0.88 KMT2A (0.53) MEN1KMT2AKEAP1NFE2L2SMN1; 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 MEN1 40/4885KMT2A 3661/4885KEAP1 202/4885
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.