SCHEMBL6243233

SCHEMBL6243233

Cc1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
HPGD P15428 5/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PSMD14 O00487 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL9420347 0.87 KMT2A (0.52) KMT2AMEN1HPGDALDH1A1ATM
SCHEMBL4864080 0.85 TYMS (0.48) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL4764015 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4770759 0.85 KMT2A (0.55) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL4762572 0.83 ALDH1A1 (0.63) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL4765196 0.81 KMT2A (0.42) KMT2AMEN1HPGDALDH1A1CYP3A4
SCHEMBL319866 0.80 KMT2A (0.73) KMT2AMEN1HPGDALDH1A1CYP3A4
SCHEMBL5801672 0.80 L3MBTL1 (0.59) KMT2AMEN1ATMPOLB
SCHEMBL172575 0.79 MAPT (0.44) KMT2AALDH1A1ATMMAPTSMN1; SMN2
SCHEMBL1944831 0.79 ALDH1A1 (0.63) KMT2AMEN1HPGDALDH1A1CYP3A4

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 11 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-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP 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
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 WO disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP 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 KMT2A 3258/4885MEN1 4715/4885HPGD 228/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KMT2A 2962/4885MEN1 1184/4885HPGD 397/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 KMT2A 2963/4885MEN1 1011/4885HPGD 408/4885

“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.