SCHEMBL24486990

SCHEMBL24486990

N=C(N)NCOCCc1cc(=O)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HSD17B3 P37058 4/20 0.41
▸ RECQL P46063 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ SLC18A1 P54219 1/20 0.38
▸ SLC18A2 Q05940 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL21171772 0.80 ALDH1A1 (0.42) NQO1CA12CA1CA9HSD17B3
SCHEMBL24487268 0.78 MMP2 (0.52) ALDH1A1RAB9AHPGDHTTHSD17B10
SCHEMBL24486986 0.78 NPC1 (0.45) NQO1CA12CA1CA9HSD17B3
SCHEMBL21533758 0.77 KDM4E (0.45) NQO1RECQLALDH1A1KCNA3HPGD
SCHEMBL24487255 0.77 NQO1 (0.43) NQO1CA12CA1CA9HSD17B3
SCHEMBL24487254 0.77 NQO1 (0.43) NQO1CA12CA1CA9RECQL
SCHEMBL24486988 0.75 KMT2A (0.44) NQO1CA12CA1CA9HSD17B3
SCHEMBL24487124 0.75 ALDH1A1 (0.43) RECQLALDH1A1KCNA3HPGDHSD17B10
SCHEMBL21171972 0.75 ALDH1A1 (0.43) NQO1CA12CA1CA9HSD17B3
SCHEMBL24820011 0.74 RECQL (0.43) NQO1CA12CA1CA9HSD17B3

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 NQO1 945/4885CA12 959/4885CA1 2769/4885

“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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