Sugi Predict

Sugi Predict / Compounds / SCHEMBL5404448

SCHEMBL5404448

SCHEMBL5404448

CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MDM4 O15151 2/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PDK1 Q15118 3/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL143033 1.00 NPC1 (0.44) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL29512563 1.00 NPC1 (0.44) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL29796373 1.00 NPC1 (0.44) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL143032 1.00 NPC1 (0.44) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL8674776 0.96 NPC1 (0.41) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL932528 0.95 MEN1 (0.46) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL11597125 0.90 NPC1 (0.41) NPC1RAB9AMEN1KMT2APTGIR
SCHEMBL30519772 0.89 MEN1 (0.51) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL29435442 0.89 MEN1 (0.51) NPC1RAB9AMDM4MDM2MEN1
SCHEMBL55267 0.89 MEN1 (0.51) NPC1RAB9AMDM4MDM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836072-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT Dongbu Farm Hannong Co., Ltd. (KR) 2015-02-18 — — EP claimed
US-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2015-01-22 — — US claimed
WO-2013154396-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2013-10-17 — — WO claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 — — US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 — — US claimed
US-6849578-B1 Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 — — US claimed
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 — — US claimed
CN-1509141-A Herbicides based on substituted aryl ketones �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-06-30 — — CN claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 — — US claimed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 — — EP claimed
EP-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 — — EP claimed
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 — — WO claimed
WO-2002071845-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2002-09-19 — — WO claimed
US-20010056040-A1 Controlling weeds; synergistic mixtures BAYER AKTIENGESELLSCHAFT KONZERNBEREICH RP PATENT UND LIZENZEN (DE) 2001-12-27 — — US claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 — — WO claimed
EP-0929221-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AG (DE) 1999-07-21 — — EP claimed
WO-1998012923-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-02 — — WO claimed
EP-0236273-B1 SYNERGETIC COMPOSITIONS AND PROCESS FOR SELECTIVE WEED KILLING IN CEREALS CIBA-GEIGY AG (CH) 1990-08-08 — — EP claimed
EP-0236273-A2 Synergetic compositions and process for selective weed killing in cereals CIBA-GEIGY AG (CH) 1987-09-09 — — EP claimed
EP-0099029-A1 Herbicidal emulsion concentrate A. Nattermann & Cie. GmbH (DE) 1984-01-25 — — EP claimed

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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 NPC1 4503/4885RAB9A 3326/4885MDM4 1317/4885
US-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT UNG, DDT, HDHD5 NPC1 4728/4885RAB9A 2602/4885MDM4 1986/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 NPC1 4678/4885RAB9A 3694/4885MDM4 910/4885
US-20040171488-A1 N-aryl-uracils based Herbicides DDT, UNG, DDC NPC1 4564/4885RAB9A 2777/4885MDM4 1078/4885
US-20010056040-A1 Controlling weeds; synergistic mixtures AS3MT, OSR1, MSRB3 NPC1 3940/4885RAB9A 2988/4885MDM4 3763/4885

“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.