SCHEMBL966554

SCHEMBL966554

[O]C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ ALOX12 P18054 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ EPHX1 P07099 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ MCL1 Q07820 1/20 0.55

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
SCHEMBL3056874 0.83 KMT2A (0.71) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL714625 0.83 EPHX1 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL27866 0.83 CYP2D6 (0.80) GAAKMT2ACYP2D6CYP2C19MEN1
Iodide SCHEMBL30583028 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
Bromide SCHEMBL21847280 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL28383085 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
Hydrogen Sulfide SCHEMBL10338701 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
Ammonia Solution, Strong SCHEMBL22534204 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL3087061 0.81 GAA (0.73) GAAKMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3219100 0.81 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 — — US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 — — EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 — — CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 — — US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 — — EP claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 — — WO claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 — — EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 — — WO claimed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 — — EP claimed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 — — EP claimed
EP-0176472-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1990-01-24 — — EP claimed
US-4883866-A DYEING PAPER CIBA-GEIGY CORPORATION (US) 1989-11-28 — — US claimed
EP-0176473-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1989-07-19 — — EP claimed
US-4754021-A DYEING PAPER, POLYACRYLONITRILE, POLYESTERS CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US claimed
EP-0176474-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 — — EP claimed
EP-0176472-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 — — EP claimed
EP-0176473-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 — — EP claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 — — US 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 (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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS GAA 985/4885KMT2A 2086/4885CYP2D6 35/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD GAA 170/4885KMT2A 3258/4885CYP2D6 512/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH GAA 465/4885KMT2A 2550/4885CYP2D6 27/4885

“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.

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