Sugi Predict

Sugi Predict / Compounds / SCHEMBL674957

SCHEMBL674957

SCHEMBL674957

C/C=C(/C(=O)O)c1c(CCCCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ESR1 P03372 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ PLK3 Q9H4B4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BID P55957 3/20 0.36
▸ MCL1 Q07820 3/20 0.36
▸ BCL2L1 Q07817 2/20 0.36
▸ BAK1 Q16611 2/20 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
SCHEMBL674959 1.00 ALDH1A1 (0.45) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL674433 0.84 GPR84 (0.47) ESR1PLK1PLK3GAAMAPT
SCHEMBL674435 0.84 GPR84 (0.47) ESR1PLK1PLK3GAAMAPT
SCHEMBL11064694 0.81 TDP1 (0.41) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL8754555 0.81 TDP1 (0.41) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL8754550 0.81 TDP1 (0.41) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL19328778 0.81 TDP1 (0.41) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL11263723 0.80 KMT2A (0.43) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL11263733 0.80 KMT2A (0.43) ALDH1A1TDP1HTTKMT2ACA1
SCHEMBL11061654 0.79 TDP1 (0.39) ALDH1A1TDP1HTTKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042239-A1 Process for preparing biocide formulations LIPIECKI FRANCIS JOSEPH (US) 2005-02-24 — — US claimed
EP-1508276-A1 Process for preparing biocide formulations in the form of emulsion Rohm and Haas Company (US) 2005-02-23 — — EP claimed
EP-0648414-B1 Fully water-dilutable microemulsions ROHM & HAAS (US) 1999-11-17 — — EP claimed
EP-0648414-A2 Fully water-dilutable microemulsions ROHM AND HAAS COMPANY (US) 1995-04-19 — — EP claimed
US-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2022-06-02 — — US disclosed
EP-3927341-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2021-12-29 — — EP disclosed
WO-2020201440-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2020-10-08 — — WO disclosed
US-10759767-B2 Compositions comprising a triazole compound BASF Agro B.V. (NL) 2020-09-01 — — US disclosed
EP-3646731-A1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-05-06 — — EP disclosed
EP-3300602-B1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-03-25 — — EP disclosed
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 — — EP disclosed
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS BASF SE (DE) 2018-10-18 — — US disclosed
US-4105797-A INSECTICIDES GAF CORPORATION (US) 1978-08-08 — — US disclosed
US-4087553-A Fungicidal 2,6-dinitrodiphenylthioethers GAF CORPORATION (US) 1978-05-02 — — US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 — — US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 — — US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 — — US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 — — US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 — — US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 — — US 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 (3 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-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST P2RX7, CAT, PDE8A ALDH1A1 3318/4885TDP1 3453/4885HTT 1668/4885
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS PUF60, POLR1C, PICALM ALDH1A1 4122/4885TDP1 1127/4885HTT 540/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 ALDH1A1 695/4885TDP1 2155/4885HTT 3238/4885

“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.