SCHEMBL24486986

SCHEMBL24486986

N=C(N)NCNCc1cc(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ HSD17B3 P37058 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PTGS2 P35354 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
SCHEMBL21171972 0.86 ALDH1A1 (0.43) NPC1NQO1HSD17B3CA12CA1
SCHEMBL24486988 0.80 KMT2A (0.44) NPC1NQO1HSD17B3CA12CA1
SCHEMBL24487254 0.79 NQO1 (0.43) NQO1CA12CA1CA9RECQL
SCHEMBL24487255 0.79 NQO1 (0.43) NQO1HSD17B3CA12CA1CA9
SCHEMBL21171750 0.78 ACHE (0.48) NQO1CA12CA1CA9RECQL
SCHEMBL24486990 0.78 NQO1 (0.42) NQO1HSD17B3CA12CA1CA9
SCHEMBL23861286 0.76 NQO1 (0.56) NPC1NQO1HSD17B3CA12CA1
SCHEMBL21171772 0.75 ALDH1A1 (0.42) NPC1NQO1HSD17B3CA12CA1
SCHEMBL24820011 0.74 RECQL (0.43) NPC1NQO1HSD17B3CA12CA1
SCHEMBL21533758 0.74 KDM4E (0.45) NQO1RECQLHPGDHTTHSD17B10

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 NPC1 3426/4885NQO1 945/4885HSD17B3 3936/4885

“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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