SCHEMBL17434342

SCHEMBL17434342

CCn1c(=O)c2cc(NC(=O)CC(C)C[N+](=O)[O-])ccc2n(CC)c1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.64
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPY5R Q15761 2/20 0.43

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
SCHEMBL17434321 0.90 RORC (0.57) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434508 0.86 RORC (0.69) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434271 0.85 RORC (0.54) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434493 0.85 RORC (0.68) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434030 0.85 RORC (0.71) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434241 0.84 RORC (0.67) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16092755 0.83 RORC (0.66) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434593 0.83 RORC (0.64) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16092733 0.82 RORC (0.67) RORCKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL17434545 0.81 RORC (0.62) RORCKDM4ESMN1; SMN2MAPTMEN1

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-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 — — US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 — — US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA RORC 2/4885KDM4E 728/4885SMN1; SMN2 4706/4885

“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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