SCHEMBL175938

SCHEMBL175938

Cc1cccc(F)c1Nc1c(-c2ccc(F)cc2F)c(C)nn1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 8/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
MAPK14 Q16539 2/20 0.36
OPRM1 P35372 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
P2RX7 Q99572 1/20 0.32
CTSA P10619 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL173519 0.95 SLC34A1 (0.39) SLC34A1MAPTTP53SMN1; SMN2GRM5
SCHEMBL176248 0.90 MAPT (0.35) SLC34A1MAPTTP53SMN1; SMN2GRM5
SCHEMBL173315 0.90 HSD11B1 (0.40) SLC34A1MAPTTP53SMN1; SMN2P2RX7
SCHEMBL173237 0.90 SLC34A1 (0.37) SLC34A1MAPTTP53SMN1; SMN2GRM5
SCHEMBL175809 0.90 LCK (0.41) SLC34A1GRM5PGRNR3C2P2RX7
SCHEMBL171106 0.88 SLC34A1 (0.41) SLC34A1MAPTGRM5PGRNR3C2
SCHEMBL170971 0.88 SLC34A1 (0.37) SLC34A1MAPTSMN1; SMN2GRM5PGR
SCHEMBL171023 0.86 POLB (0.40) MAPTTP53SMN1; SMN2
SCHEMBL9997781 0.86 SLC34A1 (0.41) SLC34A1MAPTGRM5PGRNR3C2
SCHEMBL28135750 0.85 SLC34A1 (0.36) SLC34A1MAPTGRM5PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885MAPT 3296/4885TP53 3397/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885MAPT 3296/4885TP53 3397/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885MAPT 3296/4885TP53 3397/4885

“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.