SCHEMBL6405075

SCHEMBL6405075

CSc1nnc(COc2ccccc2C)n1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.72
KMT2A Q03164 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 3/20 0.57
HPGD P15428 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.56
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 3/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL23075079 0.89 TDP1 (0.78) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL6409544 0.78 TSHR (0.66) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL24308992 0.73 PDE6D (0.55) SMN1; SMN2POLBALDH1A1RECQL
SCHEMBL6408137 0.73 SIRT2 (0.69) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL6403089 0.73 USP2 (0.67) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL6264446 0.72 TSHR (0.64) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL16409989 0.71 SIRT2 (1.00) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL22863665 0.71 TLR8 (0.57) POLBALDH1A1
SCHEMBL6403413 0.71 TSHR (0.66) TDP1KMT2AL3MBTL1MEN1LMNA
SCHEMBL10647039 0.69 MC4R (0.56) L3MBTL1SMN1; SMN2TSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111028-A1 Polymorphic Forms of 2-(5-Bromo-4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-Triazol-3-ylthio)Acetic Acid and Uses Thereof ARDEA BIOSCIENCES INC. 2019-04-18 US disclosed
US-20160214947-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ARDEA BIOSCIENCES, INC. 2016-07-28 US disclosed
US-20160143889-A1 TREATMENT OF GOUT AND HYPERURICEMIA ARDEA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-9216179-B2 Treatment of gout and hyperuricemia ARDEA BIOSCIENCES, INC. (US) 2015-12-22 US disclosed
US-20130178484-A1 TREATMENT OF GOUT AND HYPERURICEMIA ARDEA BIOSCIENCES, INC. (US) 2013-07-11 US disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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 (5 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-20160214947-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID CYP1B1, ABAT, ALDH18A1 TDP1 3244/4885KMT2A 1303/4885L3MBTL1 4213/4885
US-20160143889-A1 TREATMENT OF GOUT AND HYPERURICEMIA XDH, SLC10A1, URB2 TDP1 381/4885KMT2A 3705/4885L3MBTL1 2252/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT TDP1 288/4885KMT2A 2263/4885L3MBTL1 2749/4885
US-20190111028-A1 Polymorphic Forms of 2-(5-Bromo-4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-Triazol-3-ylthio)Acetic Acid and Uses Thereof NAT1, CYP2A13, CYP4B1 TDP1 335/4885KMT2A 3151/4885L3MBTL1 1021/4885
US-20130178484-A1 TREATMENT OF GOUT AND HYPERURICEMIA XDH, SLC10A1, URB2 TDP1 381/4885KMT2A 3705/4885L3MBTL1 2252/4885

“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.