SCHEMBL15055136

SCHEMBL15055136

Cn1cnc(CN2OC[CH]C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9762101 0.77 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL9761111 0.74 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL15055948 0.71 ALDH1A1 (0.47) CYP2C19
SCHEMBL20692743 0.68 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL15055757 0.68
SCHEMBL2301820 0.67
SCHEMBL15055678 0.65 MGLL (0.37) TSHRTDP1
SCHEMBL5956451 0.65
SCHEMBL2303762 0.64
SCHEMBL18390907 0.64 KDM4E (0.48) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3013822-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES Merial, Inc. (US) 2016-05-04 EP disclosed
EP-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 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-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES 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 CYP2C9 83/4885TSHR 3743/4885CYP2C19 341/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR CYP2C9 48/4885TSHR 814/4885CYP2C19 242/4885
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests PPIE, ECI1, PPID CYP2C9 298/4885TSHR 4726/4885CYP2C19 645/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT CYP2C9 336/4885TSHR 2195/4885CYP2C19 1104/4885
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PPIE, ECI1, PPID CYP2C9 298/4885TSHR 4726/4885CYP2C19 645/4885

“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.