SCHEMBL3687513

SCHEMBL3687513

Cc1cccc2[nH]cc(C(C)n3c(=O)n(C(C)CC(=O)O)c(=O)c4ccccc43)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 11/20 0.38
▸ MGAM O43451 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ SI P14410 3/20 0.35
▸ MGAM2 Q2M2H8 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ CTSG P08311 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3696641 0.90 CMA1 (0.49) CMA1MGAMGAASIMGAM2
SCHEMBL3685611 0.90 CMA1 (0.38) CMA1MGAMGAASIMGAM2
SCHEMBL3685608 0.90 CMA1 (0.38) CMA1MGAMGAASIMGAM2
SCHEMBL3686433 0.90 CMA1 (0.38) CMA1MGAMGAASIMGAM2
SCHEMBL3690021 0.90 CMA1 (0.49) CMA1MGAMGAASIMGAM2
SCHEMBL3685927 0.90 CMA1 (0.49) CMA1MGAMGAASIMGAM2
SCHEMBL3683313 0.88 CMA1 (0.46) CMA1MGAMGAASIMGAM2
SCHEMBL3683319 0.88 CMA1 (0.46) CMA1MGAMGAASIMGAM2
SCHEMBL3686256 0.88 CMA1 (0.41) CMA1MGAMGAASIMGAM2
SCHEMBL3690102 0.88 CMA1 (0.40) CMA1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP claimed
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 CMA1 1/4885MGAM 417/4885GAA 26/4885

“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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