SCHEMBL3645127

SCHEMBL3645127

CCC(CC(=O)OC)n1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ KIF15 Q9NS87 1/20 0.46
▸ GCK P35557 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ RNASEH1 O60930 1/20 0.43
▸ ERCC1 P07992 1/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL3700819 0.85 ALDH1A1 (0.48) KMT2AMEN1CYP1A2KIF15GCK
SCHEMBL3649265 0.85 ALDH1A1 (0.48) KMT2AMEN1CYP1A2KIF15GCK
SCHEMBL2695844 0.81 KMT2A (0.43) KMT2ANPSR1GCKGAAADORA3
SCHEMBL2695850 0.81 KMT2A (0.43) KMT2ANPSR1GCKGAAADORA3
SCHEMBL2697431 0.81 KMT2A (0.43) KMT2ANPSR1GCKGAAADORA3
SCHEMBL2311988 0.76 POLB (0.49) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL3645085 0.76 GCK (0.48) KMT2AMEN1CYP1A2KIF15GCK
SCHEMBL3646062 0.76 GCK (0.48) KMT2AMEN1CYP1A2KIF15GCK
SCHEMBL31160823 0.76 KMT2A (0.54) KMT2AMEN1CYP1A2KIF15GCK
SCHEMBL31160896 0.76 KMT2A (0.54) KMT2AMEN1CYP1A2KIF15GCK

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
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 — — US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 — — US disclosed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — 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 (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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 KMT2A 3658/4885MEN1 2790/4885MAPT 3303/4885

“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.

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