Sugi Predict

Sugi Predict / Compounds / SCHEMBL23800439

SCHEMBL23800439

SCHEMBL23800439

COC(=O)c1ccc(Br)c2c1ccn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ PRPS1 P60891 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 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
SCHEMBL2381706 0.88 NR4A2 (0.42) NR4A2BRD4KDM4ECA12CA1
SCHEMBL2594909 0.83 NR4A2 (0.43) NR4A2BRD4KDM4ECA12CA1
SCHEMBL19048549 0.83 KDM4E (0.50) NR4A2BRD4KDM4ECA12CA1
SCHEMBL15987332 0.81 NR4A2 (0.42) NR4A2BRD4KDM4ECA12CA1
SCHEMBL17113153 0.77 NR4A2 (0.59) NR4A2BRD4KDM4EPRPS1ALDH1A1
SCHEMBL12566558 0.72 PTPN1 (0.36) MYCKMT2ACYP1A2MAPTHSD17B10
SCHEMBL30949569 0.72 KDM4E (0.45) NR4A2BRD4KDM4ECA12CA1
SCHEMBL22789970 0.72 NR4A2 (0.49) NR4A2BRD4PRPS1ALDH1A1LMNA
SCHEMBL16340091 0.72 CA12 (0.34) NR4A2BRD4KDM4ECA12CA1
SCHEMBL869550 0.71 BRD4 (0.50) NR4A2BRD4KDM4ECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — 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 (4 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885

“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.