SCHEMBL175809

SCHEMBL175809

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.41
SLC34A1 Q06495 6/20 0.41
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 3/20 0.38
HSD11B1 P28845 1/20 0.38
SRC P12931 1/20 0.37
CHRNA7 P36544 1/20 0.35
GRM5 P41594 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 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
SCHEMBL171106 0.92 SLC34A1 (0.41) SLC34A1P2RX7HSD11B1GRM5PGR
SCHEMBL173926 0.92 HSD11B1 (0.43) LCKSLC34A1TDP1P2RX7HSD11B1
SCHEMBL173519 0.92 SLC34A1 (0.39) SLC34A1P2RX7GRM5PGRNR3C2
SCHEMBL175938 0.90 SLC34A1 (0.38) SLC34A1P2RX7GRM5PGRNR3C2
SCHEMBL168636 0.89 LCK (0.40) LCKSLC34A1TDP1P2RX7HSD11B1
SCHEMBL168600 0.87 HSD11B1 (0.42) LCKSLC34A1TDP1P2RX7HSD11B1
SCHEMBL169854 0.87 LCK (0.42) LCKTDP1SRCCHRNA7
SCHEMBL173237 0.87 SLC34A1 (0.37) SLC34A1GRM5PGRNR3C2
SCHEMBL173315 0.87 HSD11B1 (0.40) LCKSLC34A1TDP1P2RX7HSD11B1
SCHEMBL28135751 0.86 P2RX7 (0.41) SLC34A1P2RX7HSD11B1

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 12 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
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 LCK 2666/4885SLC34A1 1917/4885TDP1 1646/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 LCK 2666/4885SLC34A1 1917/4885TDP1 1646/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 LCK 2666/4885SLC34A1 1917/4885TDP1 1646/4885

“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.