SCHEMBL13425127

SCHEMBL13425127

Cc1cnc(C)n1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.47
▸ CYP2A6 P11509 2/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GSR P00390 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40

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
SCHEMBL13425124 0.81 TLR8 (0.49) HCAR1CYP2A6GSK3AGSK3BNPC1
SCHEMBL13425120 0.79 HCAR1 (0.41) HCAR1CYP2A6GSK3AGSK3BNPC1
SCHEMBL28446478 0.77 KDM4E (0.52) HCAR1CYP2A6GSK3AGSK3BNPC1
SCHEMBL13425122 0.73 RECQL (0.40) HCAR1GSK3AGSK3BALDH1A1HPGD
SCHEMBL31259052 0.71 TSHR (0.68) HCAR1GSK3AGSK3BNPC1MAPK1
SCHEMBL22219415 0.71 TSHR (0.68) HCAR1GSK3AGSK3BNPC1MAPK1
SCHEMBL26230390 0.70 AVPR1A (0.56) —
SCHEMBL13713425 0.70 AVPR1A (0.48) HCAR1GSK3AGSK3BMAPK1ALDH1A1
SCHEMBL9405397 0.69 NPC1 (0.49) HCAR1CYP2A6NPC1MAPK1ALDH1A1
SCHEMBL27659049 0.69 ALDH1A1 (0.44) HCAR1CYP2A6GSK3AGSK3BNPC1

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-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 — — 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-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, OAT, PON1 HCAR1 818/4885CYP2A6 1566/4885GSK3A 2432/4885

“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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