SCHEMBL210696

SCHEMBL210696

Nc1ccccc1NC(=O)c1cc2cc(NCc3cccnc3)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.56
NAMPT P43490 2/20 0.56
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HDAC2 Q92769 5/20 0.49
HDAC3 O15379 4/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
KDR P35968 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
SCHEMBL8348994 0.86 HDAC1 (0.49) HDAC1NAMPTKMT2ANPC1RAB9A
SCHEMBL2446204 0.85 HDAC4 (0.59) HDAC1NAMPTKMT2ANPC1RAB9A
SCHEMBL29054174 0.84 ALDH1A1 (0.59) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL12279261 0.84 HDAC1 (0.53) HDAC1NAMPTKMT2ANPC1RAB9A
SCHEMBL8349657 0.84 HDAC1 (0.57) HDAC1NAMPTKMT2ANPC1RAB9A
SCHEMBL29054183 0.84 ALDH1A1 (0.59) NAMPTKMT2ANPC1RAB9APOLB
SCHEMBL30524280 0.84 ALDH1A1 (0.59) NAMPTKMT2ANPC1RAB9APOLB
SCHEMBL8349050 0.83 NAMPT (0.49) HDAC1NAMPTKMT2ANPC1RAB9A
SCHEMBL5583395 0.82 PIM1 (0.59) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL212028 0.81 HDAC4 (0.57) HDAC1KMT2ANPC1RAB9AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (1 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885NAMPT 369/4885KMT2A 68/4885

“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.