SCHEMBL19834138

SCHEMBL19834138

O=C1COc2cc(F)c(C(=O)N3CC(COc4c(F)cccc4Cl)C3)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.48
▸ TP53 P04637 2/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ TRPV1 Q8NER1 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MALT1 Q9UDY8 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
SCHEMBL19833875 0.96 MGLL (0.49) MGLLTP53CASP3SENP7TRPV1
SCHEMBL19847964 0.91 MGLL (0.44) MGLLTP53CASP3SENP7TRPV1
SCHEMBL19833787 0.89 MGLL (0.53) MGLLTP53CASP3SENP7TRPV1
SCHEMBL19833704 0.89 MGLL (0.53) MGLLTP53CASP3SENP7TRPV1
SCHEMBL19833711 0.89 MGLL (0.57) MGLLTP53CASP3SENP7TRPV1
SCHEMBL19848040 0.87 MGLL (0.45) MGLLTP53CASP3SENP7ALDH1A1
SCHEMBL19833887 0.86 MGLL (0.46) MGLLTP53TRPV1MAPT
SCHEMBL19834121 0.85 MGLL (0.49) MGLLTP53ALDH1A1MAPTPOLB
SCHEMBL19833877 0.85 MGLL (0.59) MGLL
SCHEMBL19834073 0.85 MGLL (0.49) MGLLTP53ALDH1A1MAPTPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — 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 (2 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-20180079756-A1 HETEROCYCLIC COMPOUND MAG, ACHE, HTT MGLL 129/4885TP53 1722/4885CASP3 1856/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885TP53 1722/4885CASP3 1856/4885

“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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