SCHEMBL5065649

SCHEMBL5065649

O=C(OS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ACHE P22303 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39

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
SCHEMBL3499943 0.78 SMN1; SMN2 (0.44) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL7978485 0.78 SMN1; SMN2 (0.44) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL7404085 0.77 ELANE (0.43) KMT2A
SCHEMBL8301422 0.77 ELANE (0.43) KMT2A
SCHEMBL11336164 0.75 MAPT (0.41) KMT2AMEN1ALDH1A1
SCHEMBL12869701 0.75 ALDH1A1 (0.45) KMT2AMEN1ACHEALDH1A1HTT
SCHEMBL27539865 0.73 KMT2A (0.44) KMT2AALDH1A1
SCHEMBL1653893 0.72 GPR35 (0.39) KMT2AMEN1ALDH1A1HTT
SCHEMBL28592429 0.72 F2 (0.56) KMT2AMEN1NPC1CA1CA2
SCHEMBL3060996 0.72 ENPP3 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 — — 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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 KMT2A 3707/4885MEN1 3735/4885ACHE 4875/4885

“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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