SCHEMBL16857376

SCHEMBL16857376

Nc1c(Br)cnc(C(F)(F)F)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 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
SCHEMBL25256319 0.81 ASPH (0.31) —
SCHEMBL30517080 0.81 ASPH (0.31) —
SCHEMBL21598489 0.76 MBOAT4 (0.35) MBOAT4
SCHEMBL31523025 0.74 MBOAT4 (0.34) MBOAT4
SCHEMBL25516056 0.74 ALDH1A1 (0.35) —
SCHEMBL335723 0.68 ALDH1A1 (0.36) —
SCHEMBL31145846 0.68 HTT (0.47) —
SCHEMBL16856908 0.68 HTT (0.47) —
SCHEMBL22716163 0.67 CA1 (0.36) —
SCHEMBL29439729 0.67 CA1 (0.36) —

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 — — US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 — — EP 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 MBOAT4 916/4885

“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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