SCHEMBL173237

SCHEMBL173237

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 8/20 0.37
GRM5 P41594 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
MAPK14 Q16539 1/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
NMT1 P30419 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 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
SCHEMBL175883 0.92 MAPT (0.35) SLC34A1MAPTNPSR1SMN1; SMN2TP53
SCHEMBL170971 0.92 SLC34A1 (0.37) SLC34A1GRM5PGRNR3C2MAPK14
SCHEMBL173519 0.92 SLC34A1 (0.39) SLC34A1GRM5PGRNR3C2MAPK14
SCHEMBL175938 0.90 SLC34A1 (0.38) SLC34A1GRM5PGRNR3C2MAPK14
SCHEMBL170970 0.89 HSD11B1 (0.39) SLC34A1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL170536 0.87 POLB (0.38) MAPTTP53KDM4EGAA
SCHEMBL175809 0.87 LCK (0.41) SLC34A1GRM5PGRNR3C2
SCHEMBL176248 0.87 MAPT (0.35) SLC34A1GRM5PGRNR3C2MAPK14
SCHEMBL28135752 0.86 SLC34A1 (0.34) SLC34A1GRM5PGRNR3C2MAPK14
SCHEMBL29367616 0.85 MAPT (0.35) SLC34A1GRM5PGRNR3C2MAPT

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 1917/4885GRM5 2574/4885PGR 904/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885GRM5 2574/4885PGR 904/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885GRM5 2574/4885PGR 904/4885

“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.