SCHEMBL4264033

SCHEMBL4264033

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAOB P27338 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ LMNA P02545 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
SCHEMBL4266745 0.89 ALDH1A1 (0.47) SMN1; SMN2MAOBALDH1A1MEN1KMT2A
SCHEMBL4268078 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAOBALDH1A1MEN1KMT2A
SCHEMBL4258809 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAOBALDH1A1MEN1KMT2A
SCHEMBL9123775 0.78 NPC1 (0.46) SMN1; SMN2MAOBALDH1A1MEN1KMT2A
SCHEMBL5583370 0.76 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL8088214 0.75 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL28081760 0.74 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL10494386 0.72 HPSE (0.56) SMN1; SMN2MAOBALDH1A1MEN1KMT2A
SCHEMBL5583438 0.69 CYP1A2 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL31633570 0.69 CYP1A2 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1

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 3294/4885ALDH1A1 435/4885

“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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