SCHEMBL3645085

SCHEMBL3645085

CCCC(C(=O)OC)n1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ KIF15 Q9NS87 1/20 0.46
▸ ADORA3 P0DMS8 2/20 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
▸ ERCC4 Q92889 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 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
SCHEMBL3646062 1.00 GCK (0.48) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL31160951 0.88 GCK (0.49) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL31161045 0.82 GCK (0.55) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL31160823 0.81 KMT2A (0.54) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL31160896 0.81 KMT2A (0.54) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL8493359 0.79 CYP1A2 (0.48) GCKCYP1A2SMN1; SMN2GAAL3MBTL1
SCHEMBL2514642 0.78 GCK (0.48) GCKSMN1; SMN2NPC1GAAL3MBTL1
SCHEMBL3707529 0.78 ADORA3 (0.46) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL3650266 0.78 ADORA3 (0.46) GCKCYP1A2SMN1; SMN2NPC1GAA
SCHEMBL3649654 0.78 GCK (0.48) GCKCYP1A2SMN1; SMN2NPC1GAA

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 GCK 996/4885CYP1A2 2617/4885SMN1; SMN2 4554/4885

“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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