SCHEMBL778050

SCHEMBL778050

O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
DEGS1 O15121 3/20 0.59
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
F10 P00742 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL777078 0.88 NPC1 (0.60) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL773809 0.85 MEN1 (0.52) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL3224360 0.85 RAB9A (0.71) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL774842 0.83 KMT2A (0.60) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL3205567 0.82 CHRNB2 (0.59) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL774680 0.81 DEGS1 (0.48) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL2818756 0.79 DEGS1 (0.57) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL7069217 0.79 KMT2A (0.79) KMT2AMEN1RAB9ANPC1DEGS1
SCHEMBL774698 0.79 KCNQ3 (0.77)
SCHEMBL6108182 0.79 F10 (0.76) F10

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 40/4885RAB9A 2135/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KMT2A 3661/4885MEN1 40/4885RAB9A 2135/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 KMT2A 3489/4885MEN1 26/4885RAB9A 2227/4885

“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.