SCHEMBL170970

SCHEMBL170970

Cc1cccc(Br)c1Nc1c(-c2ccc(F)cc2Cl)c(C)nn1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
LCK P06239 2/20 0.34
SLC34A1 Q06495 3/20 0.34
IGF1R P08069 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
RIPK2 O43353 1/20 0.32
NOD2 Q9HC29 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL168600 0.92 HSD11B1 (0.42) HSD11B1LCKSLC34A1IGF1RTDP1
SCHEMBL29368758 0.92 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RP2RX7MEN1
SCHEMBL173254 0.92 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RP2RX7MEN1
SCHEMBL175883 0.90 MAPT (0.35) LCKSLC34A1KDM4EGALR3MAPT
SCHEMBL173926 0.90 HSD11B1 (0.43) HSD11B1LCKSLC34A1IGF1RTDP1
SCHEMBL173237 0.89 SLC34A1 (0.37) SLC34A1GAAKDM4EGALR3MAPT
SCHEMBL173315 0.89 HSD11B1 (0.40) HSD11B1LCKSLC34A1IGF1RTDP1
SCHEMBL168636 0.87 LCK (0.40) HSD11B1LCKSLC34A1TDP1P2RX7
SCHEMBL28952355 0.87 HSD11B1 (0.35) HSD11B1SLC34A1IGF1RP2RX7GRM2
SCHEMBL31414012 0.87 HSD11B1 (0.46) HSD11B1LCKSLC34A1IGF1RTDP1

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 HSD11B1 1540/4885LCK 2666/4885SLC34A1 1917/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885LCK 2666/4885SLC34A1 1917/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885LCK 2666/4885SLC34A1 1917/4885

“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.