SCHEMBL157139

SCHEMBL157139

CC(=O)Cc1ccc(F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
PKM P14618 1/20 0.44
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
F2R P25116 1/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29814973 0.83 PKM (0.53) P2RX7PKMMAPTTSHR
SCHEMBL909444 0.83 PKM (0.53) P2RX7PKMMAPTTSHR
SCHEMBL1345638 0.81 P2RX7 (0.45) P2RX7PKMIDO1AGXT
SCHEMBL1344059 0.81 P2RX7 (0.45) P2RX7PKMMAOBCYP3A4MAPT
SCHEMBL1699443 0.81 MAOB (0.51) P2RX7PKMMAOBIDO1AGXT
SCHEMBL30883124 0.81 P2RX7 (0.45) P2RX7PKML3MBTL1F2RALDH1A1
SCHEMBL909006 0.81 P2RX7 (0.45) P2RX7PKML3MBTL1F2RALDH1A1
SCHEMBL14232910 0.79 P2RX7 (0.45) P2RX7MAOBCYP3A4L3MBTL1MAPT
SCHEMBL12819675 0.79 SRC (0.42) CYP3A4L3MBTL1MAPTTSHRALDH1A1
SCHEMBL16155664 0.79 PKM (0.41) P2RX7PKMMAPTIDO1AGXT

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 31 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 claimed
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES DU PONT (US) 2017-09-14 US claimed
US-9688639-B2 Solid forms of fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-27 US claimed
EP-2999695-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-03-30 EP claimed
US-20160075661-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2016-03-17 US claimed
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES FMC CORP (US) 2018-11-01 US disclosed
US-10015966-B2 Fungicidal pyrazole mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2018-07-10 US disclosed
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES DU PONT (US) 2017-09-14 US disclosed
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES DU PONT (US) 2017-09-14 US disclosed
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES DU PONT (US) 2017-09-14 US disclosed
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP disclosed
WO-2014130409-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-08-28 WO disclosed
WO-2013116251-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-08 WO 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
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN 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 (5 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 P2RX7 710/4885PKM 1529/4885MAOB 429/4885
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES NOD1, AFF1, MAST1 P2RX7 2231/4885PKM 3343/4885MAOB 2686/4885
US-10015966-B2 Fungicidal pyrazole mixtures CYP1B1, CBR3, CBR1 P2RX7 2076/4885PKM 2523/4885MAOB 157/4885
US-20160075661-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES NOD1, AFF1, MAST1 P2RX7 2231/4885PKM 3343/4885MAOB 2686/4885
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES CYP1B1, CBR3, CBR1 P2RX7 2076/4885PKM 2523/4885MAOB 157/4885

“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.