SCHEMBL775372

SCHEMBL775372

O=C(Nc1nccnn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 2/20 0.43
SERPINE1 P05121 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL773809 0.83 MEN1 (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3224360 0.81 RAB9A (0.71) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3208598 0.79 POLB (0.70) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL774842 0.79 KMT2A (0.60) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL13423746 0.79 NPC1 (0.61) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3218359 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3205567 0.78 CHRNB2 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL775160 0.77 MAPT (0.56) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL778050 0.76 KMT2A (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL774698 0.76 KCNQ3 (0.77) KCNQ3KCNQ2

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 HDAC1 1459/4885HDAC8 1677/4885HDAC6 1108/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 HDAC1 1459/4885HDAC8 1677/4885HDAC6 1108/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 HDAC1 1861/4885HDAC8 2221/4885HDAC6 1576/4885

“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.