SCHEMBL6517336

SCHEMBL6517336

COC(=O)c1ccc2[nH]c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
RXFP1 Q9HBX9 2/20 0.70
ESR1 P03372 3/20 0.61
MAPT P10636 5/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK10 P53779 1/20 0.54
HIF1A Q16665 1/20 0.54
HTT P42858 4/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
GALR3 O60755 1/20 0.51
TNF P01375 1/20 0.51

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
SCHEMBL6256882 0.88 MEN1 (0.55) MEN1KMT2ARXFP1ESR1MAPT
SCHEMBL6245178 0.85 ESR1 (0.53) MEN1KMT2ARXFP1ESR1MAPT
SCHEMBL6243849 0.85 MEN1 (0.52) MEN1KMT2ARXFP1ESR1MAPT
SCHEMBL6243745 0.82 MAPT (0.60) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL7197144 0.82 HPGD (0.52) MEN1KMT2ARXFP1MAPTKDM4E
SCHEMBL7194154 0.81 HPGD (0.59) MEN1KMT2ARXFP1MAPTKDM4E
SCHEMBL6510914 0.81 KDM4E (0.65) MEN1KMT2AESR1MAPTKDM4E
SCHEMBL7102452 0.80 CACNA1G (0.53) MEN1KMT2ARXFP1MAPTKDM4E
SCHEMBL27605975 0.80 HPGD (0.52) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL7622093 0.79 HPGD (0.54) MEN1KMT2AMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (3 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 MEN1 4715/4885KMT2A 3258/4885RXFP1 83/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MEN1 1184/4885KMT2A 2962/4885RXFP1 995/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MEN1 1011/4885KMT2A 2963/4885RXFP1 1180/4885

“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.