SCHEMBL20604968

SCHEMBL20604968

Cc1cccc(Cn2cnc(Br)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL30587555 0.76 KLKB1 (0.40) HDAC1BRD4KLKB1HDAC2NR3C1
SCHEMBL20605204 0.76 ALDH1A1 (0.44) HDAC1HDAC6GABRA1GABRA5SMN1; SMN2
SCHEMBL15164088 0.70 ALDH1A1 (0.55) HDAC1BRD4CCR1CCR8KLKB1
SCHEMBL16014748 0.69 HDAC1 (0.58) HDAC1HDAC6
SCHEMBL17076745 0.69 KLKB1 (0.42) HDAC1BRD4CCR1CCR8KLKB1
SCHEMBL17996822 0.67 CXCR4 (0.56) SMN1; SMN2PDE2A
SCHEMBL13833158 0.67 CXCR4 (0.56) SMN1; SMN2PDE2A
SCHEMBL15871698 0.67 BRD4 (0.37) HDAC1BRD4GABRA1GABRG2GABRB3
SCHEMBL17094991 0.66 KLKB1 (0.56) HDAC1BRD4KLKB1HDAC2ADORA2B
SCHEMBL5155 0.66 — —

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
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
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HDAC1 358/4885HDAC6 275/4885BRD4 71/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HDAC1 358/4885HDAC6 275/4885BRD4 71/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HDAC1 358/4885HDAC6 275/4885BRD4 71/4885

“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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