SCHEMBL13871007

SCHEMBL13871007

C=C1CCC(n2cnc3c(C)cccc3c2=O)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 11/20 0.45
CRBN Q96SW2 11/20 0.45
IKZF3 Q9UKT9 4/20 0.41
PARP1 P09874 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.35
TNF P01375 2/20 0.34
LITAF Q99732 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IL1B P01584 1/20 0.33
USP19 O94966 1/20 0.33
ALOX5 P09917 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3651084 0.88 DDB1 (0.58) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL23979481 0.84 DDB1 (0.50) DDB1CRBNIKZF3PARP1NPC1
SCHEMBL13871000 0.77 DDB1 (0.46) DDB1CRBNIKZF3PARP1TRPA1
SCHEMBL13833757 0.76 KDM4E (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL19586333 0.74 CRBN (0.74) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL26043071 0.74 DDB1 (0.57) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL24132073 0.74 DDB1 (0.57) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL23066001 0.74 DDB1 (0.74) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL16768177 0.73 DDB1 (0.49) DDB1CRBNIKZF3PARP1TNF
SCHEMBL26138528 0.70 DDB1 (0.34) DDB1CRBNIKZF3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492395-B2 7-substituted quinazolinone compounds and compositions comprising the same CELGENE CORPORATION (US) 2013-07-23 US disclosed
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CELGENE CORPORATION 2009-04-09 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-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 DDB1 3263/4885CRBN 3949/4885IKZF3 4761/4885

“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.