SCHEMBL4619474

SCHEMBL4619474

CC(C)C(CNCCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CYP3A4 P08684 2/20 0.39
CCR3 P51677 2/20 0.39
CFTR P13569 1/20 0.39
S1PR1 P21453 1/20 0.38
KIF11 P52732 3/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL4619232 0.92 KIF11 (0.44) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4620089 0.91 LMNA (0.40) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4620234 0.91 KIF11 (0.45) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4619142 0.91 KIF11 (0.41) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL14078146 0.85 KIF11 (0.40) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4620950 0.85 KIF11 (0.44) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4620824 0.85 HDAC1 (0.45) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL4620627 0.84 TACR1 (0.42) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL14078151 0.84 LMNA (0.39) HDAC1HDAC6HDAC11HDAC8CYP3A4
SCHEMBL14078131 0.83 CFTR (0.43) HDAC1HDAC6HDAC11HDAC8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US claimed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP claimed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 WO claimed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP disclosed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 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 (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-20080234299-A1 Quinazolinones H1-3, NDUFS3, CCNT1 HDAC1 267/4885HDAC6 1596/4885HDAC11 390/4885

“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.