SCHEMBL540605

SCHEMBL540605

CC(=O)NCc1ccc(Br)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 4/20 0.57
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.41
P2RX7 Q99572 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PYCR1 P32322 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL20840178 0.88 NPC1 (0.48) SETDB1NPC1RAB9AKMT2AMEN1
SCHEMBL10204025 0.85 SETDB1 (0.43) SETDB1NPC1RAB9AKMT2AMEN1
SCHEMBL24269743 0.83 NPC1 (0.48) SETDB1NPC1RAB9AKMT2AMEN1
SCHEMBL29548392 0.83 NPC1 (0.48) SETDB1NPC1RAB9AKMT2AMEN1
SCHEMBL4467278 0.83 SETDB1 (0.57) SETDB1MTNR1AMTNR1BKMT2AMAPT
SCHEMBL6248360 0.82 NPC1 (0.60) SETDB1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL4489127 0.81 P2RX7 (0.54) SETDB1MTNR1BP2RX7
SCHEMBL1991831 0.81 SETDB1 (0.52) SETDB1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL10204843 0.81 SETDB1 (0.47) SETDB1MTNR1ANPC1RAB9AKMT2A
SCHEMBL16318517 0.80 SETDB1 (0.51) SETDB1MTNR1AMTNR1BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US claimed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US claimed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP claimed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
CN-101663261-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2010-03-03 CN disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 SETDB1 4420/4885MTNR1A 1345/4885MTNR1B 1016/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 SETDB1 4420/4885MTNR1A 1345/4885MTNR1B 1016/4885
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN BTF3, BRS3, CCNB3 SETDB1 1793/4885MTNR1A 1074/4885MTNR1B 402/4885
US-20150208658-A1 METHODS OF SOIL PEST CONTROL C1S, CBR3, CNPY3 SETDB1 3336/4885MTNR1A 1351/4885MTNR1B 1290/4885
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN HRH4, HRH3, H1-3 SETDB1 2064/4885MTNR1A 1012/4885MTNR1B 498/4885

“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.