SCHEMBL170510

SCHEMBL170510

Cc1nn(C)c(Nc2c(F)cc(F)cc2Br)c1-c1ccc(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GALR3 O60755 1/20 0.36
SLC34A1 Q06495 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
NMT1 P30419 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL175788 0.96 MAPT (0.37) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL170832 0.95 SLC34A1 (0.38) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL17200653 0.93 MAPT (0.35) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL170814 0.91 SLC34A1 (0.39) MAPTSMN1; SMN2HTTSLC34A1MEN1
SCHEMBL173522 0.91 SLC34A1 (0.38) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL17200646 0.91 MAPT (0.36) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL173411 0.89 SLC34A1 (0.38) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL17200664 0.88 SLC34A1 (0.37) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL29367616 0.88 MAPT (0.35) MAPTSMN1; SMN2HTTKDM4EGALR3
SCHEMBL14956153 0.88 MAPT (0.35) MAPTSMN1; SMN2HTTKDM4EGALR3

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 15 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 CN 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 MAPT 3296/4885SMN1; SMN2 2600/4885HTT 3798/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885HTT 3798/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885HTT 3798/4885

“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.