SCHEMBL20668153

SCHEMBL20668153

BOc1ccncc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ METAP1 P53582 2/20 0.43
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DOHH Q9BU89 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ TP53 P04637 7/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ PKM P14618 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL13537102 0.83 SMN1; SMN2 (0.49) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL18976884 0.82 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL12854083 0.74 KDM4E (0.50) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL11886365 0.73 CYP2A6 (0.48) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL5142866 0.73 CYP2A6 (0.48) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL23598623 0.73 CYP2A6 (0.48) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL20018964 0.73 TDO2 (0.51) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL19961428 0.73 CYP2A6 (0.48) CYP2A6KDM4ELMNAMETAP1CCR1
SCHEMBL21299147 0.71 SMN1; SMN2 (0.60) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL20668222 0.69 KDM4E (0.48) CYP2A6KDM4ELMNAMETAP1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190027699-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-24 — — 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-20190027699-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, GPX1, ODC1 CYP2A6 1281/4885KDM4E 1434/4885LMNA 4162/4885

“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.

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