SCHEMBL3701617

SCHEMBL3701617

Cc1cccc2[nH]cc(C(C)n3c(=O)n(CCN4CCOCC4)c(=O)c4ccccc43)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ ABCB1 P08183 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3689406 0.86 PGR (0.38) GAAMEN1KMT2ACNR2
SCHEMBL3699074 0.83 CMA1 (0.45) ALDH1A1KDM4E
SCHEMBL3699071 0.83 CMA1 (0.45) ALDH1A1KDM4E
SCHEMBL13822648 0.81 FABP4 (0.42) ALDH1A1SMN1; SMN2CYP2D6CNR2HDAC1
SCHEMBL2317387 0.80 ALDH1A1 (0.38) ALDH1A1CNR2KDM4E
SCHEMBL3686184 0.77 ACACB (0.35) ALDH1A1
SCHEMBL3686182 0.76 CMA1 (0.38) GAA
SCHEMBL3685071 0.75 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3695212 0.75 CMA1 (0.35) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3683080 0.75 CMA1 (0.35) GAAALDH1A1MEN1KMT2AKDM4E

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 3 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

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 GAA 26/4885ALDH1A1 2108/4885TSHR 2609/4885

“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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