SCHEMBL2528631

SCHEMBL2528631

O=C1C=C2C(=N1)c1cccc3c(Oc4ccccc4)ccc2c13

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 12/20 0.51
▸ BCL2 P10415 10/20 0.51
▸ BCL2L1 Q07817 2/20 0.44
▸ ADORA2A P29274 1/20 0.38
▸ PRMT1 Q99873 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ XBP1 P17861 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL2527574 1.00 MCL1 (0.51) MCL1BCL2BCL2L1ADORA2APRMT1
SCHEMBL1198049 0.78 ADORA2A (0.50) MCL1BCL2BCL2L1ADORA2APRMT1
SCHEMBL30350041 0.75 POLB (0.53) MCL1BCL2BCL2L1ADORA2APRMT1
SCHEMBL17948245 0.75 POLB (0.53) MCL1BCL2BCL2L1ADORA2APRMT1
SCHEMBL2367500 0.74 MCL1 (0.60) MCL1BCL2BCL2L1
SCHEMBL2367447 0.73 MCL1 (0.88) MCL1BCL2BCL2L1
SCHEMBL2367939 0.73 MCL1 (0.88) MCL1BCL2BCL2L1
SCHEMBL11716566 0.72 PRMT1 (0.49) MCL1BCL2ADORA2APRMT1LMNA
SCHEMBL12874088 0.70 CYP1A2 (0.48) MCL1BCL2BCL2L1LMNAPOLB
SCHEMBL11712238 0.69 PRMT1 (0.49) MCL1BCL2BCL2L1ADORA2APRMT1

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-20110251188-A1 ACENAPHTHO HETEROCYCLE COMPOUNDS, CYCLODEXTRIN INCLUSION COMPOUNDS AND COMPLEXES, AND USES IN THE MANUFACTURES OF BH3 PROTEIN ANALOGUE, BCL-2 FAMILY PROTEIN INHIBITORS THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2011-10-13 — — 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-20110251188-A1 ACENAPHTHO HETEROCYCLE COMPOUNDS, CYCLODEXTRIN INCLUSION COMPOUNDS AND COMPLEXES, AND USES IN THE MANUFACTURES OF BH3 PROTEIN ANALOGUE, BCL-2 FAMILY PROTEIN INHIBITORS THEREOF BID, BCL2, BAX MCL1 10/4885BCL2 2/4885BCL2L1 4/4885

“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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