SCHEMBL777760

SCHEMBL777760

COc1ccc(NC(=O)c2cc(F)cc(-c3ccc(-c4ccccc4)cc3)c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
KEAP1 Q14145 1/20 0.66
NFE2L2 Q16236 1/20 0.66
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 6/20 0.57
LMNA P02545 3/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 6/20 0.53
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
PABPC1 P11940 1/20 0.49
ABCC1 P33527 1/20 0.49
KCNQ3 O43525 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
SCHEMBL3211310 0.84 KMT2A (0.69) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3216340 0.83 KMT2A (0.67) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3212017 0.81 KMT2A (0.61) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3203230 0.81 KMT2A (0.64) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL5650231 0.80 RAB9A (0.76) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3208827 0.80 KMT2A (0.69) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3221907 0.80 KMT2A (0.66) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL775030 0.79 MEN1 (0.65) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL1417105 0.79 MEN1 (0.81) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3208977 0.79 MEN1 (0.56) KMT2AMEN1KEAP1NFE2L2CASP3

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.