SCHEMBL4679780

SCHEMBL4679780

COCOc1cccc(C=CCBr)c1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.44
CYP1A1 P04798 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1B1 Q16678 3/20 0.41
PRMT1 Q99873 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4679776 1.00 NFE2L2 (0.44) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4686163 0.87 NFE2L2 (0.49) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4686165 0.87 NFE2L2 (0.49) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL17375802 0.86 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4683638 0.78 CA1 (0.53) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4686100 0.77 NFE2L2 (0.59) NFE2L2CYP1A1CYP1A2KDM4EALOX5
SCHEMBL4686097 0.77 NFE2L2 (0.59) NFE2L2CYP1A1CYP1A2KDM4EALOX5
SCHEMBL17580725 0.74 NFE2L2 (0.56) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL10723109 0.74 NFE2L2 (0.56) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL3671710 0.73 SMN1; SMN2 (0.55) NFE2L2CYP1A2MEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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 (1 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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 NFE2L2 1885/4885CYP1A1 1151/4885CYP1A2 2326/4885

“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.