SCHEMBL8097542

SCHEMBL8097542

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 3/20 0.34
KCNH2 Q12809 2/20 0.34
REN P00797 1/20 0.34
CTSD P07339 1/20 0.34
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2813537 0.89 HDAC4 (0.42) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL2813531 0.89 HDAC4 (0.42) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL1414152 0.74 HDAC4 (0.39) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL10819476 0.73 ALDH1A1 (0.42) ALDH1A1PKMBACE1KCNH2REN
SCHEMBL31486742 0.73 GAA (0.40) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL3363949 0.73 DPP4 (0.45) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL1414317 0.72 HDAC4 (0.46) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL28463725 0.72 HDAC4 (0.46) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL1414320 0.72 HDAC4 (0.46) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL3642923 0.72 HDAC4 (0.36) GAAHDAC4HDAC1HDAC6EPHX1

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 9 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-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-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-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
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 GAA 264/4885HDAC4 1164/4885HDAC1 2794/4885
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE GAA 264/4885HDAC4 1164/4885HDAC1 2794/4885

“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.