SCHEMBL24487255

SCHEMBL24487255

N=C(N)NCSCc1cc(=O)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.43
▸ HSD17B3 P37058 6/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL24486986 0.79 NPC1 (0.45) NQO1HSD17B3CA12CA1CA9
SCHEMBL24487254 0.78 NQO1 (0.43) NQO1CA12CA1CA9RECQL
SCHEMBL24486989 0.78 MMP2 (0.47) CA12CA1CA9ALDH1A1HPGD
SCHEMBL24486990 0.77 NQO1 (0.42) NQO1HSD17B3CA12CA1CA9
SCHEMBL21171972 0.76 ALDH1A1 (0.43) NQO1HSD17B3CA12CA1CA9
SCHEMBL21171750 0.75 ACHE (0.48) NQO1CA12CA1CA9RECQL
SCHEMBL21171772 0.74 ALDH1A1 (0.42) NQO1HSD17B3CA12CA1CA9
SCHEMBL24486988 0.74 KMT2A (0.44) NQO1HSD17B3CA12CA1CA9
SCHEMBL24820011 0.73 RECQL (0.43) NQO1HSD17B3CA12CA1CA9
SCHEMBL21533758 0.73 KDM4E (0.45) NQO1RECQLALDH1A1HPGDHTT

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 945/4885HSD17B3 3936/4885CA12 959/4885

“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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