SCHEMBL6243786

SCHEMBL6243786

CN(C)C=Nc1cc(=O)n(Cc2ccccc2)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
HPGD P15428 3/20 0.64
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX7 Q99572 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL6516450 1.00 LMNA (0.81) LMNASMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL17434287 0.90 SMN1; SMN2 (0.81) LMNASMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL17434284 0.90 SMN1; SMN2 (0.81) LMNASMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL16028158 0.85 LMNA (0.61) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL16028161 0.85 LMNA (0.61) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14016193 0.84 LMNA (0.76) LMNASMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL1945918 0.81 LMNA (0.56) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL1546067 0.80 LMNA (0.55) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL1546054 0.77 LMNA (0.53) LMNASMN1; SMN2HPGDCYP3A4KMT2A
SCHEMBL1944745 0.77 LMNA (0.53) LMNASMN1; SMN2HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 LMNA 3812/4885SMN1; SMN2 3193/4885HPGD 228/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 LMNA 2113/4885SMN1; SMN2 1854/4885HPGD 397/4885

“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.