SCHEMBL17200645

SCHEMBL17200645

Cc1cc(F)c(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC34A1 Q06495 7/20 0.36
NMT1 P30419 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 2/20 0.32
P2RX7 Q99572 1/20 0.31
GRM4 Q14833 1/20 0.31
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL17200650 0.95 MAPT (0.38) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL173522 0.93 SLC34A1 (0.38) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL17200646 0.92 MAPT (0.36) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL17200653 0.90 MAPT (0.35) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL17200652 0.90 HSD11B1 (0.38) SLC34A1HSD11B1P2RX7
SCHEMBL173411 0.89 SLC34A1 (0.38) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL171531 0.87 HSD11B1 (0.36) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL17200658 0.87 HSD11B1 (0.36) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL29355021 0.87 HSD11B1 (0.36) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL175788 0.87 MAPT (0.37) MAPTKDM4EGALR3HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464056-B2 Fungicidal 4-methylanilino pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2016-10-11 US claimed
EP-2864293-B1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES DU PONT (US) 2016-04-27 EP claimed
US-20150307456-A1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES FMC CORPORATION 2015-10-29 US claimed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9464056-B2 Fungicidal 4-methylanilino pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2016-10-11 US disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
EP-3029038-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-06-08 EP disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
EP-2864293-B1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES DU PONT (US) 2016-04-27 EP disclosed
US-20150307456-A1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES FMC CORPORATION 2015-10-29 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-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, KCNA5, MT-CO2 MAPT 4020/4885KDM4E 2475/4885GALR3 3101/4885
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 MAPT 3902/4885KDM4E 3517/4885GALR3 2602/4885
US-20150307456-A1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES CYP2F1, CYP1B1, CYP4B1 MAPT 4790/4885KDM4E 1163/4885GALR3 1999/4885

“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.