SCHEMBL2312841

SCHEMBL2312841

CCOC(=O)C[C@H](c1ccccc1)n1c(=O)n(C(C)c2c[nH]c3cc(C)cc(C)c23)c2ccc(C(=O)NS(C)(=O)=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.34
SCN2B O60939 4/20 0.34
SCN1B Q07699 4/20 0.34
SCN5A Q14524 4/20 0.34
SCN1A P35498 3/20 0.34
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2308881 0.92 SCN9A (0.36) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL2317170 0.88 SCN9A (0.33) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL2313591 0.83 SLC6A2 (0.33)
SCHEMBL2313587 0.83 SLC6A2 (0.33)
SCHEMBL2311426 0.82 CMA1 (0.33) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL2313711 0.82 SLC22A12 (0.40) KDM4EALDH1A1HTT
SCHEMBL2310040 0.81 KDM4E (0.34) KDM4EALDH1A1HTT
SCHEMBL2314771 0.81 PDCD1 (0.32) KDM4EALDH1A1
SCHEMBL2312740 0.80 MGAM (0.33) KDM4EALDH1A1
SCHEMBL2312747 0.80 MGAM (0.33) KDM4EALDH1A1

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-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 SCN9A 3937/4885SCN2B 4332/4885SCN1B 3619/4885

“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.