Sugi Predict

Sugi Predict / Compounds / SCHEMBL7847451

SCHEMBL7847451

SCHEMBL7847451

O=C1[CH]CON1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.46
▸ GSK3B P49841 4/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ ELANE P08246 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CTRC Q99895 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ RGS4 P49798 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.38
▸ HTR2A P28223 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
SCHEMBL15055715 0.85 MAPT (0.50) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15054718 0.82 GSK3A (0.49) GSK3AGSK3BMGLLSIGMAR1ALDH1A1
SCHEMBL15055759 0.80 CHRNB2 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL15054762 0.78 GSK3A (0.53) GSK3AGSK3BCMA1SIGMAR1ALDH1A1
SCHEMBL15055778 0.76 MEN1 (0.44) MEN1KMT2ALMNAMAPTGAA
SCHEMBL15055948 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL15054583 0.74 TSHR (0.45) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL7847449 0.70 L3MBTL1 (0.45) GSK3AGSK3BMGLLELANEF2
SCHEMBL44669 0.70 L3MBTL1 (0.45) GSK3AGSK3BMGLLELANEF2
SCHEMBL2301820 0.70 — —

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069125-A2 Carbamate derivatives of 4-amino-3-isoxazolidinones, 3-amino-1-hydroxypyrrolidin-2-ones and 1-amino-1-cyclopropanecarboxylic acid analogs, a process for their preparation and their use as medicaments AVENTIS PHARMACEUTICALS INC. (US) 2001-01-17 — — EP claimed
CN-105473584-B Thiophene-or furan-substituted isothiazoline compounds 勃林格殷格翰动物保健美国公司 2020-01-31 — — CN disclosed
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests BASF SE (DE) 2019-09-10 — — US disclosed
EP-3102563-B1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2019-04-10 — — EP disclosed
EP-3013822-B1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES MERIAL INC (US) 2017-11-01 — — EP disclosed
US-9732051-B2 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2017-08-15 — — US disclosed
EP-3102563-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-12-14 — — EP disclosed
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-12-08 — — US disclosed
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides MERIAL, INC. (US) 2016-10-13 — — US disclosed
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BASF SE (DE) 2016-05-26 — — US disclosed
EP-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2016-05-04 — — EP disclosed
EP-3013822-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES Merial, Inc. (US) 2016-05-04 — — EP disclosed
WO-2015114157-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-08-06 — — WO disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES BASF SE (DE) 2014-12-31 — — WO disclosed
WO-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 — — WO disclosed
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2014-12-11 — — US disclosed
EP-2794601-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-10-29 — — EP disclosed
WO-2013092943-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-06-27 — — 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 (5 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-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BROX, TUBA3C, SYMPK GSK3A 3241/4885GSK3B 2962/4885MGLL 3714/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR GSK3A 3999/4885GSK3B 3597/4885MGLL 2894/4885
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests PPIE, ECI1, PPID GSK3A 941/4885GSK3B 728/4885MGLL 1772/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT GSK3A 3070/4885GSK3B 2695/4885MGLL 2892/4885
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PPIE, ECI1, PPID GSK3A 941/4885GSK3B 728/4885MGLL 1772/4885

“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.