SCHEMBL4258809

SCHEMBL4258809

COCOc1ccc(C(=O)c2ccccc2N)cc1.COCOc1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAOB P27338 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ CTSD P07339 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4268078 0.93 SMN1; SMN2 (0.53) SMN1; SMN2MAOBMAPTGAAKMT2A
SCHEMBL4260834 0.88 MAPT (0.56) SMN1; SMN2MAPTGAAKMT2AMEN1
SCHEMBL4264033 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAOBMAPTGAAKMT2A
SCHEMBL8088214 0.79 SMN1; SMN2 (0.71) SMN1; SMN2MAPTGAACRHBPCRHR2
SCHEMBL28081760 0.79 ALDH1A1 (0.47) SMN1; SMN2MAPTGAAKMT2AMEN1
SCHEMBL8575758 0.77 CTSD (0.57) SMN1; SMN2MAPTGAAMAPK1CTSD
SCHEMBL10494386 0.76 HPSE (0.56) SMN1; SMN2MAOBMAPTGAAKMT2A
SCHEMBL10372218 0.75 MAPT (0.59) SMN1; SMN2MAOBMAPTGAAKMT2A
Anthranilic Acid SCHEMBL27758640 0.74 MAPT (0.58) MAPTGAAHPGDMAPK1CTSD
SCHEMBL5685223 0.73 KMT2A (0.66) SMN1; SMN2MAPTGAAKMT2AMEN1

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 — — 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 SMN1; SMN2 4473/4885MAOB 3294/4885MAPT 3900/4885

“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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