Sugi Predict

Sugi Predict / Compounds / SCHEMBL73816

SCHEMBL73816

SCHEMBL73816

[CH2]C=Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.54
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ DNM1 Q05193 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL73815 1.00 AHR (0.54) AHRTSHRTP53CYP3A4CA12
SCHEMBL9114095 0.76 ALDH1A1 (0.41) AHRTSHRCYP3A4ALDH1A1
SCHEMBL9114088 0.76 ALDH1A1 (0.41) AHRTSHRCYP3A4ALDH1A1
SCHEMBL2093746 0.75 CYP1A2 (0.57) CYP1A2CYP2C9
SCHEMBL2093745 0.75 CYP1A2 (0.57) CYP1A2CYP2C9
SCHEMBL2992524 0.74 AHR (0.56) AHRTSHRTP53CYP3A4CA12
SCHEMBL7910366 0.72 AHR (0.54) AHRTSHRTP53CYP3A4CA12
SCHEMBL18851547 0.72 AHR (0.54) AHRTSHRTP53CYP3A4ALDH1A1
SCHEMBL74363 0.72 AHR (0.54) AHRALDH1A1CYP1A2
SCHEMBL74364 0.72 AHR (0.54) AHRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 — — US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
US-8846907-B2 Spiro-condensed indoline derivatives as pesticides SYNGENTA CROP PROTECTION LLC (US) 2014-09-30 — — US disclosed
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 — — US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 — — US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 — — EP disclosed
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 — — US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 — — US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 — — US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 — — US disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 — — CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 — — EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 — — WO 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AHR 1471/4885TSHR 319/4885TP53 4494/4885
US-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 AHR 488/4885TSHR 2935/4885TP53 3421/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX AHR 405/4885TSHR 1701/4885TP53 724/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 AHR 1691/4885TSHR 556/4885TP53 4065/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 AHR 220/4885TSHR 967/4885TP53 4828/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 AHR 471/4885TSHR 1481/4885TP53 4685/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 AHR 529/4885TSHR 2605/4885TP53 4168/4885

“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.