SCHEMBL155226

SCHEMBL155226

CC(=O)C(C#N)c1ccc(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
APLNR P35414 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 5/20 0.34
ALDH1A1 P00352 4/20 0.34
ALPG P10696 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
S1PR3 Q99500 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
NOTUM Q6P988 1/20 0.32
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL1722361 0.84 CES2 (0.45) PKMSMN1; SMN2LMNAALDH1A1ALPG
SCHEMBL30211225 0.81 MDM2 (0.41) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL157185 0.81 MDM2 (0.41) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL1720514 0.73 LMNA (0.51) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL16397433 0.72 S1PR3 (0.43) ALDH1A1S1PR3
SCHEMBL30141158 0.72 TDP1 (0.35) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL27554624 0.71 APLNR (0.40) PKMAPLNRSMN1; SMN2CES2CES1
SCHEMBL16344945 0.71 APLNR (0.39) PKMAPLNRSMN1; SMN2ALDH1A1NPC1
SCHEMBL20723058 0.70 CES2 (0.42) SMN1; SMN2ALDH1A1CES2CES1NPC1
SCHEMBL31384011 0.70 PTGS1 (0.47) PKMAPLNRGPR139

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 14 patents. 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-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
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP disclosed
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
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-2809157-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. Du Pont de Nemours and Company (US) 2014-12-10 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

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 PKM 1529/4885APLNR 4458/4885SMN1; SMN2 2600/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PKM 1529/4885APLNR 4458/4885SMN1; SMN2 2600/4885
US-10015966-B2 Fungicidal pyrazole mixtures CYP1B1, CBR3, CBR1 PKM 2523/4885APLNR 4651/4885SMN1; SMN2 3555/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PKM 1529/4885APLNR 4458/4885SMN1; SMN2 2600/4885
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES CYP1B1, CBR3, CBR1 PKM 2523/4885APLNR 4651/4885SMN1; SMN2 3555/4885

“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.