SCHEMBL5094585

SCHEMBL5094585

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CFTR P13569 1/20 0.41
APP P05067 1/20 0.40
HDAC2 Q92769 1/20 0.40
POLB P06746 2/20 0.40
CTSD P07339 1/20 0.40
RAB9A P51151 1/20 0.39
CXCR3 P49682 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL5103547 0.91 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL14078088 0.86 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4619180 0.86 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4620950 0.84 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL14078131 0.84 CFTR (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL14078144 0.82 CTSK (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4620824 0.81 HDAC1 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4620627 0.80 TACR1 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4620089 0.79 LMNA (0.40) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4619232 0.79 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US 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

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 KIF11 2324/4885MAP1LC3B 2831/4885CYP3A4 755/4885

“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.