Sugi Predict

Sugi Predict / Compounds / SCHEMBL173648

SCHEMBL173648

SCHEMBL173648

Cc1nn(C)c(Nc2c(F)cc(Br)cc2F)c1-c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.41
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ TP53 P04637 2/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL15974249 0.88 NMT1 (0.40) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL173314 0.88 GRM4 (0.39) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL170377 0.86 KMT2A (0.39) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL170975 0.85 MAPT (0.38) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL30582142 0.84 MAPT (0.35) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL28057338 0.82 MAPT (0.33) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL168112 0.81 MAPT (0.34) MAPTLMNAMAT2A
SCHEMBL170491 0.81 NMT1 (0.39) NMT1MAPTSMN1; SMN2KDM4EGALR3
SCHEMBL173330 0.81 FTO (0.36) MAPTGAALMNAMAT2AMEN1
SCHEMBL17288005 0.81 NMT1 (0.35) NMT1MAPTSMN1; SMN2KDM4EGALR3

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 23 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
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 — — EP 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
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-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 — — 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-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 — — US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 — — 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
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 — — EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 — — US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 — — 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 (6 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 NMT1 1868/4885MAPT 4737/4885SMN1; SMN2 2913/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 NMT1 2699/4885MAPT 3296/4885SMN1; SMN2 2600/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 NMT1 1868/4885MAPT 4737/4885SMN1; SMN2 2913/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 NMT1 1868/4885MAPT 4737/4885SMN1; SMN2 2913/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 NMT1 2699/4885MAPT 3296/4885SMN1; SMN2 2600/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 NMT1 1868/4885MAPT 4737/4885SMN1; SMN2 2913/4885

“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.