SCHEMBL4464765

SCHEMBL4464765

O=C1OC(c2ccc(Br)s2)=NC12CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4462915 0.90 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL1838877 0.89 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL3768760 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL3781105 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL3775241 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL1840906 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL1841634 0.66 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL5601645 0.65 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL1841743 0.64 SIGMAR1 (0.42) ALDH1A1CYP3A4
SCHEMBL1843106 0.62 ALDH1A1 (0.45) ALDH1A1CYP3A4

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-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC ALDH1A1 910/4885CYP3A4 766/4885

“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.