SCHEMBL19844934

SCHEMBL19844934

N#[N+]c1ccc(CCCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ CA2 P00918 4/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MGLL Q99685 2/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MITF O75030 1/20 0.31

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
SCHEMBL19844936 0.84 LMNA (0.44) LMNACA2SMN1; SMN2CA1CA9
SCHEMBL18034192 0.79 CA2 (0.36) LMNACA2MMP1
SCHEMBL775918 0.78 LMNA (0.53) LMNACA2FFAR1NPC1RECQL
Water SCHEMBL7042206 0.77 CA2 (0.35) LMNACA2MMP1
Ammonia Solution, Strong SCHEMBL8156375 0.76 LMNA (0.51) LMNACA2FFAR1NPC1RECQL
SCHEMBL27519591 0.76 LMNA (0.51) LMNACA2FFAR1NPC1RECQL
SCHEMBL28130264 0.76 LMNA (0.51) LMNACA2FFAR1NPC1RECQL
SCHEMBL27408467 0.76 LMNA (0.51) LMNACA2FFAR1NPC1RECQL
SCHEMBL10598168 0.75 HRH1 (0.43) LMNANPC1SMN1; SMN2
SCHEMBL19851311 0.73 — —

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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 — — 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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR LMNA 373/4885CA2 4569/4885FNTA 1682/4885

“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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