SCHEMBL30429120

SCHEMBL30429120

NC(=O)c1ccccc1Oc1cc2cc[nH]c2nc1OCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ HTR1A P08908 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL30428018 0.81 MAPT (0.42) KDM4EHTR1AAURKARPS6KB1JAK1
SCHEMBL30428798 0.77 TTK (0.38) POLBUSP2ALDH1A1CHUK
SCHEMBL30428561 0.77 CTNNB1 (0.43) ALDH1A1CHUK
SCHEMBL30428638 0.72 CTNNB1 (0.44) KDM4EALDH1A1CHUK
SCHEMBL25613068 0.72 CYP3A4 (0.45) KDM4EPOLBCD274ALDH1A1JAK1
SCHEMBL4708251 0.71 GAA (0.50) KDM4EPOLBCNR1CNR2AURKA
SCHEMBL30314029 0.71 BCL2 (0.64) —
SCHEMBL2199389 0.69 KDM4E (0.54) KDM4EPOLBCNR1CNR2USP2
SCHEMBL1267865 0.68 CD274 (0.53) KDM4ECD274ALDH1A1JAK1
SCHEMBL1701635 0.68 CTNNB1 (0.51) CHUKINSRMAPK8

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 KDM4E 2788/4885HTR1A 4188/4885POLB 1318/4885

“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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