SCHEMBL171106

SCHEMBL171106

Cc1nn(C)c(Nc2c(F)cccc2Cl)c1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 7/20 0.41
P2RX7 Q99572 4/20 0.39
HSD11B1 P28845 1/20 0.38
GRM5 P41594 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARG P37231 1/20 0.35
NR1I3 Q14994 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29369400 0.93 HSD11B1 (0.43) SLC34A1P2RX7HSD11B1ABCB11PTGS1
SCHEMBL170786 0.93 HSD11B1 (0.43) SLC34A1P2RX7HSD11B1ABCB11PTGS1
SCHEMBL175809 0.92 LCK (0.41) SLC34A1P2RX7HSD11B1GRM5PGR
SCHEMBL171531 0.90 HSD11B1 (0.36) SLC34A1P2RX7HSD11B1ABCB11PTGS1
SCHEMBL29355021 0.90 HSD11B1 (0.36) SLC34A1P2RX7HSD11B1ABCB11PTGS1
SCHEMBL170946 0.88 SLC34A1 (0.42) SLC34A1P2RX7HSD11B1PGRNR3C2
SCHEMBL175783 0.88 HSD11B1 (0.42) SLC34A1P2RX7HSD11B1MAPT
SCHEMBL175938 0.88 SLC34A1 (0.38) SLC34A1P2RX7GRM5PGRNR3C2
SCHEMBL29367611 0.88 HSD11B1 (0.42) SLC34A1P2RX7HSD11B1MAPT
SCHEMBL28135751 0.87 P2RX7 (0.41) SLC34A1P2RX7HSD11B1MAPK14

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 13 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
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 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
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (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 1917/4885P2RX7 710/4885HSD11B1 1540/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885P2RX7 710/4885HSD11B1 1540/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885P2RX7 710/4885HSD11B1 1540/4885

“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.