SCHEMBL2744305

SCHEMBL2744305

CC(C)(C)OC(=O)Nc1ccc(C=NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.52
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ CYP17A1 P05093 2/20 0.47
▸ PSMB8 P28062 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL7372333 1.00 MIF (0.52) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL31341175 1.00 MIF (0.52) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL21339831 0.88 MIF (0.52) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL18281734 0.86 MIF (0.51) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL18281736 0.86 MIF (0.51) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL18288123 0.86 MIF (0.51) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL13055402 0.83 CYP17A1 (0.59) SMN1; SMN2NAMPTCYP17A1PSMB8CA12
SCHEMBL31341208 0.82 HDAC3 (0.51) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL418939 0.82 CYP17A1 (0.54) MIFNPC1RAB9ARECQLSMN1; SMN2
SCHEMBL1672145 0.81 CYP17A1 (0.49) MIFNPC1RAB9ARECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 — — US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 — — EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 — — US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 — — US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 — — US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 — — US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 — — US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 — — US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 — — WO disclosed
US-7220768-B2 Isoxazole-containing thiourea inhibitors useful for treatment of varicella zoster virus WYETH HOLDINGS CORP. (US) 2007-05-22 — — US disclosed
WO-2004072052-A2 ISOXASOLE-CONTAINING THIOUREA INHIBITORS USEFUL FOR TREATMENT OF VARICELLA ZOSTER VIRUS WYETH HOLDINGS CORPORATION (US) 2004-08-26 — — WO disclosed
US-20040157900-A1 Isoxazole-containing thiourea inhibitors useful for treatment of varicella zoster virus WYETH HOLDINGS CORPORATION 2004-08-12 — — US disclosed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 — — US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 — — US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — 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-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MIF 2934/4885NPC1 4139/4885RAB9A 848/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MIF 2934/4885NPC1 4139/4885RAB9A 848/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC MIF 4376/4885NPC1 2246/4885RAB9A 769/4885
US-20040157900-A1 Isoxazole-containing thiourea inhibitors useful for treatment of varicella zoster virus TPMT, TPX2, IRF3 MIF 3288/4885NPC1 4161/4885RAB9A 1881/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 MIF 3001/4885NPC1 3584/4885RAB9A 487/4885

“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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