Sugi Predict

Sugi Predict / Compounds / SCHEMBL272686

SCHEMBL272686

SCHEMBL272686

CC(CC(C)(C)C)c1ccccc1NC(=O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CFTR P13569 1/20 0.42
▸ PKM P14618 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL27849076 0.89 TDP1 (0.43) KMT2AMEN1TDP1LMNAGAA
SCHEMBL5517427 0.87 GAA (0.44) KMT2ALMNAGAARXFP1ALDH1A1
SCHEMBL14423097 0.87 SLC16A3 (0.49) KMT2AMEN1LMNAGAARXFP1
SCHEMBL4831516 0.86 SMN1; SMN2 (0.51) KMT2AMEN1TDP1LMNAGAA
SCHEMBL4827248 0.86 HPGD (0.56) TDP1LMNARXFP1ALDH1A1HTT
SCHEMBL14280278 0.85 PKM (0.53) KMT2AMEN1TDP1LMNAGAA
SCHEMBL14364836 0.84 TDP1 (0.49) KMT2AMEN1TDP1LMNAGAA
SCHEMBL273890 0.84 TDP1 (0.49) KMT2AMEN1TDP1LMNAGAA
SCHEMBL14364837 0.84 TDP1 (0.49) KMT2AMEN1TDP1LMNAGAA
SCHEMBL272581 0.84 SMN1; SMN2 (0.49) KMT2AMEN1LMNAGAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 — — US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 — — US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 — — EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 — — US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 — — US claimed
EP-2046124-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS Syngeta Participations AG (CH) 2009-04-15 — — EP claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 — — EP claimed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 — — WO claimed
US-7314958-B2 Phenylbenzamides BAYER CROPSCIENCE AG (DE) 2008-01-01 — — US claimed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 — — WO claimed
CN-101022729-A Synergistic fungicidal active substance combinations which contain spiroxamine, a triazole and a carboxamide BAYER CROPSCIENCE AG (DE) 2007-08-22 — — CN claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 — — WO claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO claimed
US-20060211771-A1 Phenyl benzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-09-21 — — US claimed
EP-1519913-A1 PHENYL BENZAMIDES Bayer CropScience AG (DE) 2005-04-06 — — EP claimed
WO-2004005242-A1 PHENYL BENZAMIDES BAYER CROPSCIENCE AG (DE) 2004-01-15 — — 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 (7 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN KMT2A 263/4885MEN1 2774/4885TDP1 2738/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 KMT2A 2162/4885MEN1 353/4885TDP1 3992/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 KMT2A 970/4885MEN1 1131/4885TDP1 4189/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 KMT2A 51/4885MEN1 1734/4885TDP1 2497/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN KMT2A 263/4885MEN1 2774/4885TDP1 2738/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 KMT2A 428/4885MEN1 1468/4885TDP1 3951/4885
US-20060211771-A1 Phenyl benzamides PADI1, PNMT, BRPF3 KMT2A 129/4885MEN1 926/4885TDP1 1795/4885

“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.