SCHEMBL12749845

SCHEMBL12749845

CCNC(=O)c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL14281527 0.86 TACR3 (0.58) LMNAL3MBTL1
SCHEMBL10990332 0.81 TACR3 (0.51) —
SCHEMBL13585802 0.79 CYP3A4 (0.56) SCN9AHTTL3MBTL1
SCHEMBL10749116 0.78 SCN9A (0.57) SCN9ALMNA
SCHEMBL8069465 0.77 SCN9A (0.81) SCN9ALMNA
SCHEMBL10986022 0.75 SCN9A (0.76) SCN9A
SCHEMBL12903055 0.72 MEN1 (0.73) HTTRAB9AL3MBTL1
SCHEMBL8220491 0.71 KDM4E (0.46) LMNAHTTRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL14843094 0.71 CCKAR (0.42) HSP90AB1RAB9A
SCHEMBL20467410 0.70 ALDH1A1 (0.81) LMNARAB9A

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-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 SCN9A 2076/4885LMNA 3074/4885HSP90AB1 2025/4885

“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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