SCHEMBL3053904

SCHEMBL3053904

O=C(NC(=S)Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60

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
SCHEMBL3047510 0.87 EPHX1 (0.66) EPHX1
SCHEMBL11163234 0.86 ALDH1A1 (0.66) EPHX1
SCHEMBL3053910 0.86 ALDH1A1 (0.62) EPHX1
SCHEMBL14095966 0.85 ALDH1A1 (0.57) EPHX1
SCHEMBL3054870 0.85 ALDH1A1 (0.72) EPHX1
SCHEMBL11161487 0.85 EPHX1 (0.74) EPHX1
SCHEMBL11162937 0.85 EPHX1 (0.70) EPHX1
SCHEMBL3044660 0.84 EPHX1 (0.69) EPHX1
SCHEMBL3050928 0.82 MEN1 (0.61)
SCHEMBL18203360 0.82 NPC1 (0.60)

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
EP-2200977-B1 F1F0-ATPASE INHIBITORS AND RELATED METHODS UNIV MICHIGAN (US) 2016-11-09 EP disclosed
US-8324258-B2 F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-04 US disclosed
US-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 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-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods ATP5F1A, ATP5F1B, ATP5F1D EPHX1 1571/4885

“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.