SCHEMBL20604751

SCHEMBL20604751

CCn1cc2cc(C(=O)OC)cc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK10 P53779 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL18283686 0.75 KDM4E (0.51) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL24337909 0.72 KDM4E (0.54) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL858867 0.72 NPC1 (0.67) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL30971129 0.72 PSMD14 (0.36) KDM4EPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL20604815 0.70 KDM4E (0.48) KDM4EPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL25103100 0.70 KDM4E (0.51) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL25103404 0.70 NPC1 (0.41) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL15910992 0.69 NQO2 (0.43) KDM4EPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL25153636 0.69 KDM4E (0.50) KDM4EPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL1722832 0.69 KDM4E (0.49) KDM4EPOLBHTTTDP1ALDH1A1

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 8 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
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 (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 KDM4E 1156/4885POLB 2458/4885HTT 1459/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885POLB 2458/4885HTT 1459/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885POLB 2458/4885HTT 1459/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885POLB 2458/4885HTT 1459/4885

“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.