SCHEMBL2813537

SCHEMBL2813537

CN(C(=O)CCC(NC(=O)OC(C)(C)C)C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 2/20 0.36
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
KCNH2 Q12809 1/20 0.36
BTK Q06187 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL2813531 1.00 HDAC4 (0.42) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL8097542 0.89 GAA (0.40) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL1414152 0.84 HDAC4 (0.39) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL3363949 0.82 DPP4 (0.45) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL1414317 0.82 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL28463725 0.82 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL1414320 0.82 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL12139098 0.81 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL1414236 0.81 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL7905864 0.81 HDAC4 (0.39) HDAC4HDAC1HDAC6EPHX1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664388-B2 Substituted amino-quinazolinones, medicaments comprising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-04 US disclosed
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-8222264-B2 Substituted amino-quinazolinones, medicaments comprising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-17 US disclosed
US-20100249158-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
WO-2009007300-A2 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-15 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-20100249158-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE HDAC4 1164/4885HDAC1 2794/4885HDAC6 1671/4885
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE HDAC4 1164/4885HDAC1 2794/4885HDAC6 1671/4885

“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.