Sugi Predict

Sugi Predict / Compounds / SCHEMBL1473404

SCHEMBL1473404

SCHEMBL1473404

O=C(O)c1ccc(-c2csc(Nc3cccnc3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.80
▸ RAB9A P51151 4/20 0.80
▸ MAPT P10636 7/20 0.74
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ ALDH1A1 P00352 3/20 0.73
▸ MAPK1 P28482 2/20 0.72
▸ CLK1 P49759 1/20 0.72
▸ CSNK2A1 P68400 4/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ LMNA P02545 1/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ GAA P10253 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ VCP P55072 1/20 0.59
▸ GLA P06280 1/20 0.59

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
SCHEMBL14155921 0.89 RAB9A (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7554938 0.88 MAPT (0.91) NPC1RAB9AMAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7551166 0.87 MAPT (0.73) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL22560263 0.86 MAPT (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL22560267 0.84 MAPK1 (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL23539303 0.83 MEN1 (0.81) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL206986 0.83 RAB9A (0.87) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4086283 0.82 NPC1 (0.74) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1818544 0.82 CSNK2A1 (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6403322 0.81 MAPT (0.74) NPC1RAB9AMAPTMEN1KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 — — US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 — — EP disclosed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 — — US disclosed
EP-2719700-A1 TETRAHYDROFURO(3,2-B)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES Amura Therapeutics Limited (GB) 2014-04-16 — — EP disclosed
US-8501744-B2 Piperazine compounds AMURA THERAPEUTICS, LIMITED (GB) 2013-08-06 — — US disclosed
EP-2078023-B1 TETRAHYDROFURO (3, 2-B) PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2012-12-26 — — EP disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 — — EP disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-20110077254-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-03-31 — — US disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 — — WO disclosed
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
CN-1362947-A N-cyanomethylamides as protease inhibitors AXYS PHARM INC (US) 2002-08-07 — — CN disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 NPC1 545/4885RAB9A 2240/4885MAPT 2606/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 NPC1 159/4885RAB9A 365/4885MAPT 2271/4885
US-20110077254-A1 COMPOUNDS CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 NPC1 82/4885RAB9A 216/4885MAPT 1751/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK NPC1 438/4885RAB9A 1120/4885MAPT 4646/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 NPC1 545/4885RAB9A 2240/4885MAPT 2606/4885

“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.