SCHEMBL22825973

SCHEMBL22825973

Cc1c(Br)c(CO)nn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
RET P07949 2/20 0.31
POLQ O75417 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
ATR Q13535 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
FLT3 P36888 1/20 0.30
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL13264542 0.86 GAA (0.38) GAACYP4F2CYP4A11CYP2C19KMT2A
SCHEMBL31622729 0.83 GAA (0.38) GAACYP4F2CYP4A11KMT2ARXRA
SCHEMBL20517453 0.82 GAA (0.35) GAACYP4F2CYP4A11CYP2C19ATR
SCHEMBL21002088 0.81 GAA (0.49) GAACYP4F2CYP4A11CYP2C19KMT2A
SCHEMBL25934709 0.79 GAA (0.33) GAACYP4F2CYP4A11RET
SCHEMBL30758273 0.78 GAA (0.44) GAACYP4F2CYP4A11CYP2C19KMT2A
SCHEMBL22236287 0.77 GAA (0.36) GAACYP4F2CYP4A11KMT2ARXRA
SCHEMBL25934712 0.77 GAA (0.34) GAACYP4F2CYP4A11
SCHEMBL22826020 0.76 GAA (0.33) GAACYP4F2CYP4A11POLQ
SCHEMBL1040373 0.76 GAA (0.39) GAACYP4F2CYP4A11CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986902-B1 MACROCYCLIC INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2024-01-24 EP disclosed
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
US-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-01-26 US disclosed
WO-2022251247-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. (US) 2022-12-01 WO disclosed
WO-2022008674-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 WO disclosed
WO-2021099579-A1 MACROCYCLIC INDOLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-05-27 WO disclosed
WO-2020254471-A1 MACROCYCLIC INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2020-12-24 WO 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 (3 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-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS MCL1, BCL2L1, BAK1 GAA 3624/4885CYP4F2 4722/4885CYP4A11 4575/4885
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BAK1, BCL2L1 GAA 3823/4885CYP4F2 4338/4885CYP4A11 4239/4885
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 GAA 3720/4885CYP4F2 4639/4885CYP4A11 4564/4885

“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.