SCHEMBL170814

SCHEMBL170814

Cc1nn(C)c(Nc2c(F)cc(F)cc2Br)c1-c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 5/20 0.39
HSD11B1 P28845 2/20 0.37
P2RX7 Q99572 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IGF1R P08069 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL17200658 0.93 HSD11B1 (0.36) SLC34A1HSD11B1P2RX7MEN1KMT2A
SCHEMBL173410 0.92 SLC34A1 (0.41) SLC34A1HSD11B1P2RX7MAPTCYP3A4
SCHEMBL173522 0.91 SLC34A1 (0.38) SLC34A1HSD11B1P2RX7MEN1KMT2A
SCHEMBL168744 0.91 SLC34A1 (0.41) SLC34A1HSD11B1P2RX7MAPTCYP3A4
SCHEMBL170832 0.91 SLC34A1 (0.38) SLC34A1MEN1KMT2AMAPTNPSR1
SCHEMBL170510 0.91 MAPT (0.36) SLC34A1MEN1KMT2AMAPTNPSR1
SCHEMBL9997757 0.89 HSD11B1 (0.38) SLC34A1HSD11B1P2RX7MEN1KMT2A
SCHEMBL29368758 0.88 HSD11B1 (0.39) SLC34A1HSD11B1P2RX7MEN1KMT2A
SCHEMBL173254 0.88 HSD11B1 (0.39) SLC34A1HSD11B1P2RX7MEN1KMT2A
SCHEMBL173677 0.88 HSD11B1 (0.40) SLC34A1HSD11B1P2RX7CYP3A4IGF1R

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US claimed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US claimed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US claimed
WO-2014130409-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-08-28 WO 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
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN claimed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 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 (7 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885HSD11B1 962/4885P2RX7 1017/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885HSD11B1 1540/4885P2RX7 710/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885HSD11B1 1540/4885P2RX7 710/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 SLC34A1 2257/4885HSD11B1 962/4885P2RX7 1017/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885HSD11B1 962/4885P2RX7 1017/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885HSD11B1 1540/4885P2RX7 710/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885HSD11B1 962/4885P2RX7 1017/4885

“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.