Sugi Predict

Sugi Predict / Compounds / SCHEMBL3696138

SCHEMBL3696138

SCHEMBL3696138

O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TP53 P04637 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ GRM1 Q13255 2/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL851500 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL6695263 0.74 HDAC3 (0.69) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL2843958 0.74 HDAC4 (1.00) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL217745 0.73 HDAC3 (0.71) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL14249309 0.73 HDAC3 (0.71) MEN1KMT2AALDH1A1HDAC3HDAC4
Xanthene Carboxylic Acid SCHEMBL40617 0.71 ATM (0.68) MEN1KMT2AALDH1A1HDAC3HDAC4
Xanthene Carboxylic Acid SCHEMBL30011680 0.71 ATM (0.68) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL5034569 0.71 MEN1 (0.51) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL3030337 0.71 KMT2A (0.50) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL5574871 0.71 HTT (0.55) MEN1KMT2AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 — — EP claimed
US-20130195997-A1 FUNGICIDAL MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2013-08-01 — — US claimed
US-20110319435-A1 FUNGICIDE MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2011-12-29 — — US claimed
US-8916613-B2 Synergistic insecticidal mixtures BAYER CROPSCIENCE AG (DE) 2014-12-23 — — US disclosed
US-20140243326-A1 Synergistic Insecticidal Mixtures BAYER CROPSCIENCE AG (DE) 2014-08-28 — — US disclosed
US-20130195997-A1 FUNGICIDAL MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2013-08-01 — — US disclosed
CN-1631878-B C as pesticides and herbicides2-phenyl-substituted cyclic ketoenols BAYER AG 2012-07-04 — — CN disclosed
CN-102408369-A C as pesticides and herbicides2-phenyl-substituted cyclic ketoenols BAYER AG 2012-04-11 — — CN disclosed
US-20110319435-A1 FUNGICIDE MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2011-12-29 — — US disclosed
US-20100197747-A1 Synergistic Insecticidal Mixtures BAYER CROPSCIENCE AG (DE) 2010-08-05 — — US disclosed
CN-101676258-A C2 phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER AG 2010-03-24 — — CN disclosed
US-20020094936-A1 Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests ASSMANN LUTZ (DE) 2002-07-18 — — US disclosed
US-6420362-B1 Azines containing the 5,6-di-hydro-(1,4,2) dioxazine-3-yl group and the use thereof as fungicides BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 — — US disclosed
US-6350909-B1 FUNGICIDES AND CONTROLLING MICROORGANISMS, COMPRISING THE STEP OF APPLYING COMPOSITIONS WHICH IS FORMED BAYER AKTIENGESELLSCHAFT (DE) 2002-02-26 — — US disclosed
US-6350770-B1 MICROBIOCIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-02-26 — — US disclosed
US-20020022728-A1 Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests ASSMANN LUTZ (DE) 2002-02-21 — — US disclosed
CN-1315944-A Isothiazole carboxamides BAYER AG (DE) 2001-10-03 — — CN disclosed
US-6262100-B1 Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 — — US disclosed
US-6221862-B1 Microbicide 1,4,2-dioxazine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2001-04-24 — — US disclosed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 — — CN 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 (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-20020022728-A1 Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests NOD1, NMRAL1, NAT1 MEN1 2749/4885KMT2A 1335/4885ALDH1A1 2909/4885
US-20020094936-A1 Nitrophenyl-sulfonyl-imidazoles and use thereof for controlling vegetable and animal pests NOD1, NMRAL1, NAT1 MEN1 2749/4885KMT2A 1335/4885ALDH1A1 2909/4885
US-20140243326-A1 Synergistic Insecticidal Mixtures DDT, TBCB, PITPNB MEN1 3780/4885KMT2A 2899/4885ALDH1A1 3196/4885
US-20100197747-A1 Synergistic Insecticidal Mixtures DDT, TBCB, PITPNB MEN1 3780/4885KMT2A 2899/4885ALDH1A1 3196/4885

“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.