SCHEMBL25822916

SCHEMBL25822916

Cc1csc2cc(Br)ncc12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
CYP17A1 P05093 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
SCHEMBL25822909 0.85 CYP2A6 (0.43) CYP2A6
SCHEMBL7922368 0.80 CYP2A6 (0.41) CYP2A6CYP17A1
SCHEMBL4420015 0.71 CYP2A6 (0.58) CYP2A6
SCHEMBL22571498 0.70
SCHEMBL4420014 0.69 CYP2A6 (0.56) CYP2A6
SCHEMBL14438010 0.69 CYP2A6 (0.41) CYP2A6
SCHEMBL7922890 0.68 CYP2A6 (0.46) CYP2A6
SCHEMBL165522 0.68 CYP2A6 (0.46) CYP2A6CYP17A1
SCHEMBL12980094 0.68 CYP2A6 (0.54) CYP2A6
SCHEMBL24757245 0.65 NOS3 (0.47) CYP2A6CYP17A1

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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 CYP2A6 3752/4885CYP17A1 3769/4885

“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.