SCHEMBL777078

SCHEMBL777078

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
DEGS1 O15121 3/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F10 P00742 3/20 0.50
KLK1 P06870 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
S1PR2 O95136 2/20 0.47

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
SCHEMBL778050 0.88 KMT2A (0.60) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL3224360 0.83 RAB9A (0.71) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL774842 0.81 KMT2A (0.60) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL3205567 0.81 CHRNB2 (0.59) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL774680 0.79 DEGS1 (0.48) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL773831 0.79 KMT2A (0.60) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL773809 0.79 MEN1 (0.52) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL2818756 0.77 DEGS1 (0.57) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL31241065 0.77 RAB9A (0.79) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1558817 0.77 RAB9A (0.79) NPC1RAB9AMEN1KMT2ARXFP1

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 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.