SCHEMBL5849674

SCHEMBL5849674

OC(CNC1CC1)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.55
KDM4E B2RXH2 1/20 0.53
BCHE P06276 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL5850142 0.82 ADRB2 (0.55) ADRB2KDM4EBCHE
SCHEMBL5848437 0.82 ADRB2 (0.55) ADRB2KDM4EBCHE
SCHEMBL5850252 0.82 ADRB2 (0.55) ADRB2KDM4EBCHESMN1; SMN2
SCHEMBL5848784 0.80 ADRB2 (0.54) ADRB2KDM4EBCHESLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL14126826 0.80 KDM4E (0.71) ADRB2KDM4E
SCHEMBL19330018 0.77 KDM4E (0.63) ADRB2KDM4EBCHESMN1; SMN2
SCHEMBL31270102 0.76 KDM4E (0.66) ADRB2KDM4E
SCHEMBL5848464 0.76 KDM4E (0.50) ADRB2KDM4EBCHE
SCHEMBL31270098 0.75 KDM4E (0.64) ADRB2KDM4E
SCHEMBL31270012 0.75 KDM4E (0.64) ADRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 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 (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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 ADRB2 768/4885KDM4E 1122/4885BCHE 3391/4885

“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.