SCHEMBL2695531

SCHEMBL2695531

Cc1cccc2[nH]cc(C(C)n3c(=O)n(CC(=O)O)c(=O)c4nccnc43)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 12/20 0.45
▸ CYP2C9 P11712 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TNF P01375 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL2696231 0.89 CMA1 (0.43) CMA1PTGDR2TP53MEN1ALDH1A1
SCHEMBL2695228 0.88 CMA1 (0.55) CMA1CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2698950 0.84 CMA1 (0.43) CMA1ADORA2BMAPT
SCHEMBL2696996 0.82 CMA1 (0.55) CMA1
SCHEMBL2698201 0.82 CMA1 (0.55) CMA1
SCHEMBL3699071 0.73 CMA1 (0.45) CMA1ALDH1A1MAPT
SCHEMBL3699074 0.73 CMA1 (0.45) CMA1ALDH1A1MAPT
SCHEMBL2697953 0.73 CMA1 (0.59) CMA1HTR1DOPRK1
SCHEMBL2697949 0.73 CMA1 (0.59) CMA1HTR1DOPRK1
SCHEMBL2697474 0.73 CMA1 (0.45) CMA1TP53ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 — — US disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — 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 (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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC CMA1 1/4885CYP2C9 2391/4885PTGS1 754/4885

“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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