Sugi Predict

Sugi Predict / Compounds / SCHEMBL10119696

SCHEMBL10119696

SCHEMBL10119696

Cc1ccc(SNc2nc(-c3cccc([N+](=O)[O-])c3)ns2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PSMB8 P28062 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL10119695 0.85 KMO (0.48) KMOPOLBABCG2MEN1KMT2A
SCHEMBL633417 0.80 KMO (0.64) KMOCYP1A2
SCHEMBL10119707 0.80 MEN1 (0.55) MMP2MMP9MMP8MMP13KMO
SCHEMBL10138501 0.80 ADORA3 (0.58) POLBADORA3RXFP1MEN1KMT2A
SCHEMBL14256350 0.77 MMP2 (0.43) MMP2MMP9MMP8MMP13KMO
SCHEMBL11257662 0.73 PRSS1 (0.46) ADORA3PSMB8MEN1KMT2ACYP1A2
SCHEMBL11332159 0.71 MGAM (0.56) ADORA3PSMB8MEN1KMT2ACYP1A2
SCHEMBL7024741 0.71 PSMB8 (0.51) POLBABCG2PSMB8MEN1KMT2A
SCHEMBL7020022 0.71 PSMB8 (0.55) PSMB8MEN1KMT2ACYP1A2IDO1
SCHEMBL26961071 0.70 RIPK1 (0.55) POLBMEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 — — US disclosed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 — — US disclosed
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 — — US disclosed
US-8071631-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; arylsulfonamides such as 3,4-dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazole-3-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2011-12-06 — — 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-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 MMP2 842/4885MMP9 1013/4885MMP8 927/4885

“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.