SCHEMBL23453719

SCHEMBL23453719

CCOC(=O)c1[nH]nc(C)c1NCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ SLC26A6 Q9BXS9 2/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ KCNQ3 O43525 3/20 0.46
▸ KCNQ2 O43526 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL23453709 0.84 P4HTM (0.47) NPC1CYP1A2CYP2C19HSD17B10LMNA
SCHEMBL6418611 0.80 AR (0.49) POLBTP53SLC26A6NPC1RAB9A
SCHEMBL23453730 0.77 NPC1 (0.46) POLBTP53SLC26A6NPC1RAB9A
SCHEMBL5317799 0.76 TRPM8 (0.49) POLBTP53NPC1RAB9AMAPK1
SCHEMBL22609318 0.74 MEN1 (0.51) POLBTP53SLC26A6PDE4BNPC1
SCHEMBL6417909 0.73 MAPT (0.49) POLBTP53NPC1RAB9ALMNA
Hexane SCHEMBL23453727 0.73 NPC1 (0.42) POLBTP53SLC26A6NPC1RAB9A
SCHEMBL11247013 0.72 MAPT (0.71) POLBNPC1RAB9AKCNQ3KCNQ2
SCHEMBL6108908 0.72 PDE4D (0.56) POLBRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5317300 0.71 HDAC6 (0.54) POLBTP53NPC1RAB9AMAPK1

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS POLB 1927/4885TP53 3308/4885SLC26A6 1148/4885

“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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