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SCHEMBL158125

SCHEMBL158125

COc1cc(F)c(C(C#N)C(C)=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CPS1 P31327 2/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL22609776 0.87 PTGS2 (0.40) ALDH1A1KMT2ATAAR1CPS1PTGS2
SCHEMBL21342460 0.82 KMT2A (0.44) ALDH1A1KMT2ATAAR1SMN1; SMN2CYP3A4
SCHEMBL22609734 0.81 AKR1C3 (0.36) ALDH1A1KMT2ATAAR1CPS1PTGS2
SCHEMBL1724657 0.80 PDE2A (0.35) ALDH1A1
SCHEMBL23059591 0.78 TSHR (0.39) ALDH1A1KMT2AUSP2CYP3A4
SCHEMBL19985872 0.78 KDM4E (0.37) ALDH1A1KMT2ATAAR1HDAC1SMN1; SMN2
SCHEMBL15952400 0.76 CES2 (0.42) ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL19988401 0.72 KDM4E (0.37) ALDH1A1KMT2ATAAR1SMN1; SMN2RAB9A
SCHEMBL1095499 0.71 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL1462346 0.70 PTGS2 (0.44) ALDH1A1KMT2ATAAR1CPS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 — — EP disclosed
US-11440900-B2 Agricultural chemicals GLOBACHEM NV (BE) 2022-09-13 — — US disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO 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-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 — — US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 — — US 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 (9 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 ALDH1A1 506/4885KMT2A 347/4885TAAR1 2731/4885
US-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ALDH1A1 2185/4885KMT2A 2374/4885TAAR1 1829/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885KMT2A 3900/4885TAAR1 1426/4885
US-11440900-B2 Agricultural chemicals NAT1, CYP51A1, NOS1 ALDH1A1 162/4885KMT2A 837/4885TAAR1 1774/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885KMT2A 3900/4885TAAR1 1426/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 ALDH1A1 2185/4885KMT2A 2374/4885TAAR1 1829/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ALDH1A1 2185/4885KMT2A 2374/4885TAAR1 1829/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885KMT2A 3900/4885TAAR1 1426/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ALDH1A1 2185/4885KMT2A 2374/4885TAAR1 1829/4885

“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.