SCHEMBL4620951

SCHEMBL4620951

CC(=O)NCC(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.53
CYP3A4 P08684 2/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53
TDP1 Q9NUW8 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4620915 0.90 RAB9A (0.48) CYP3A4CYP2C19MEN1KMT2AKDM4E
SCHEMBL4620734 0.84 KIF11 (0.57) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4621187 0.84 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14078147 0.83 KIF11 (0.47) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4620608 0.82 KIF11 (0.57) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5090961 0.82 KIF11 (0.51) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4517998 0.81 KIF11 (0.54) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL16645078 0.81 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5103593 0.80 KIF11 (0.51) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14078088 0.80 KIF11 (0.58) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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 6 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

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 2324/4885CYP3A4 755/4885MAP1LC3B 2831/4885

“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.