SCHEMBL4729704

SCHEMBL4729704

O=C(NO)c1cnc(NC2CCNCC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.73
HDAC1 Q13547 16/20 0.73
HDAC3 O15379 14/20 0.73
HDAC2 Q92769 14/20 0.73
HDAC8 Q9BY41 2/20 0.42
SMYD3 Q9H7B4 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL4729918 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13015030 0.84 HDAC1 (0.53) HDAC6HDAC1HDAC3HDAC2SMYD3
SCHEMBL30423180 0.83 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2SMYD3
Hydrochloric Acid SCHEMBL3774411 0.83 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2SMYD3
SCHEMBL4729665 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL14397338 0.77 HDAC1 (0.45) HDAC6HDAC1HDAC3HDAC2CDK1
SCHEMBL4701457 0.77 IGF1R (0.46) HDAC6HDAC1HDAC3HDAC2CDK1
SCHEMBL17830863 0.76 HDAC1 (0.44) HDAC6HDAC1HDAC3HDAC2CDK1
SCHEMBL31736992 0.74 MAPK1 (0.64) HDAC1CDK1CDK4CCND1CDK2
SCHEMBL31736623 0.74 IGF1R (0.46) HDAC6HDAC1HDAC3HDAC2CDK1

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-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2017-04-06 US disclosed
EP-3067346-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-09-14 EP disclosed
US-9409890-B2 Pyrimidine hydroxy amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARAMCEUTICALS, INC. (US) 2016-08-09 US disclosed
EP-2640709-B1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS INC (US) 2016-04-06 EP disclosed
US-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 US disclosed
WO-2012068109-A2 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-17 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-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885

“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.