SCHEMBL17200664

SCHEMBL17200664

Cc1cc(F)c(Nc2c(-c3ccc(F)cc3F)c(C)nn2C)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 8/20 0.37
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NMT1 P30419 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
GRM5 P41594 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL17200653 0.93 MAPT (0.35) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL170832 0.93 SLC34A1 (0.38) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL17200668 0.92 SLC34A1 (0.40) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL17200658 0.90 HSD11B1 (0.36) SLC34A1MAPTNPSR1NMT1KDM4E
SCHEMBL170510 0.88 MAPT (0.36) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL17200646 0.88 MAPT (0.36) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL170491 0.87 NMT1 (0.39) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL9997781 0.87 SLC34A1 (0.41) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL170971 0.86 SLC34A1 (0.37) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL175788 0.85 MAPT (0.37) SLC34A1PGRNR3C2MAPTNPSR1

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 6 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-9464056-B2 Fungicidal 4-methylanilino pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2016-10-11 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 (1 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-20150307456-A1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES CYP2F1, CYP1B1, CYP4B1 SLC34A1 1978/4885PGR 2818/4885NR3C2 114/4885

“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.