SCHEMBL8931780

SCHEMBL8931780

O=C1c2ccccc2C(=O)N1Cc1ccc(I)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
GRM5 P41594 2/20 0.43
CASP3 P42574 1/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
CYP1B1 Q16678 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RECQL P46063 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
SCHEMBL2578279 0.81 CASP3 (0.51) TYRGRM5CASP3SMN1; SMN2ALDH1A1
SCHEMBL540738 0.81 TYR (0.46) TYRGRM5CASP3KMT2APKM
SCHEMBL10205868 0.81 CASP3 (0.41) GRM5CASP3KMT2APKMSMN1; SMN2
SCHEMBL6095022 0.80 TYR (0.64) TYRGRM5CASP3KMT2APKM
SCHEMBL14329302 0.79 RXFP1 (0.61) TYRGRM5CASP3KMT2APKM
SCHEMBL19828941 0.79 HDAC1 (0.47) TYRGRM5CASP3KMT2APKM
SCHEMBL3729405 0.78 TYR (0.49) TYRGRM5CASP3KMT2APKM
SCHEMBL14329279 0.78 RXFP1 (0.47) TYRGRM5CASP3KMT2APKM
SCHEMBL1600299 0.78 MAPT (0.43) TYRGRM5CASP3KMT2APKM
SCHEMBL540166 0.77 GRM5 (0.52) TYRGRM5KMT2APKMSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TYR 124/4885GRM5 1886/4885CASP3 478/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 TYR 124/4885GRM5 1886/4885CASP3 478/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 TYR 124/4885GRM5 1886/4885CASP3 478/4885

“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.