Sugi Predict

Sugi Predict / Compounds / SCHEMBL989788

SCHEMBL989788

SCHEMBL989788

CCC(CC)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HCAR3 P49019 2/20 0.45
▸ GPR35 Q9HC97 1/20 0.40
▸ MAPK1 P28482 6/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPT P10636 7/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL11204272 0.86 CYP3A4 (0.51) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
Butralin SCHEMBL55786 0.86 ALDH1A1 (0.70) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
Butralin SCHEMBL8539399 0.86 ALDH1A1 (0.70) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL27503749 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11601300 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11387971 0.81 L3MBTL1 (0.54) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11576075 0.79 MAPT (0.47) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL28980375 0.77 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11573441 0.77 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL28177597 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9

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
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
CN-1589101-A Herbicides containing substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) one compounds BAYER CROPSCIENCE GMBH (DE) 2005-03-02 — — CN claimed
US-6849578-B1 Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 — — US claimed
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 — — US claimed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 — — EP claimed
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 — — US claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 — — EP claimed
WO-2003020033-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-13 — — WO 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
EP-1233672-A2 SYNERGISTIC HERBICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Aktiengesellschaft (DE) 2002-08-28 — — EP claimed
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 — — EP claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 — — WO claimed
WO-2001035741-A2 SYNERGISTIC HERBICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 — — WO claimed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 — — WO claimed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 — — WO 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 (4 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 ALDH1A1 148/4885L3MBTL1 225/4885CYP3A4 55/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 ALDH1A1 108/4885L3MBTL1 195/4885CYP3A4 105/4885
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one DDT, TARS2, CBR3 ALDH1A1 284/4885L3MBTL1 361/4885CYP3A4 84/4885
US-20040171488-A1 N-aryl-uracils based Herbicides DDT, UNG, DDC ALDH1A1 322/4885L3MBTL1 774/4885CYP3A4 852/4885

“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.