SCHEMBL1771121

SCHEMBL1771121

O=C(NO)c1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC1 Q13547 13/20 1.00
HDAC2 Q92769 9/20 0.65
HDAC3 O15379 7/20 0.65
HDAC7 Q8WUI4 7/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
IDO1 P14902 1/20 0.65
ALOX15 P16050 1/20 0.65
CA9 Q16790 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
HDAC4 P56524 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54

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
SCHEMBL348853 0.82 HDAC6 (0.70) HDAC6HDAC8HDAC1CA1CA9
SCHEMBL2690287 0.82 HDAC1 (0.69) HDAC6HDAC8HDAC1HDAC2HDAC3
Benzohydroxamate SCHEMBL28299068 0.80 HDAC8 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
Benzohydroxamate SCHEMBL28895973 0.80 HDAC8 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL21755109 0.80 HDAC8 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
Benzohydroxamate SCHEMBL133061 0.80 HDAC8 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2407104 0.79 ALDH1A1 (0.65) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2407916 0.79 ALDH1A1 (0.65) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2405281 0.79 ALDH1A1 (0.65) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1552114 0.79 HDAC1 (0.64) HDAC6HDAC8HDAC1CA12CA1

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
EP-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8841291-B2 Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG (CH) 2014-09-23 US disclosed
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2014-01-30 US disclosed
CN-102143942-A Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG 2011-08-03 CN disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 US disclosed
EP-2318361-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS Novartis AG (CH) 2011-05-11 EP disclosed
WO-2010007027-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2010-01-21 WO 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 (2 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-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 HDAC6 43/4885HDAC8 80/4885HDAC1 39/4885
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 HDAC6 41/4885HDAC8 82/4885HDAC1 39/4885

“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.