SCHEMBL3565037

SCHEMBL3565037

CCOC(=O)c1cc2cccc(Br)c2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOD2 Q9HC29 5/20 0.44
NOD1 Q9Y239 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
F10 P00742 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL3160370 0.84 CA12 (0.53) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7285824 0.83 NOD2 (0.46) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL5125297 0.83 KDM4E (0.45) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7884252 0.83 ALDH1A1 (0.48) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7884857 0.82 KMT2A (0.47) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7877726 0.81 MAPT (0.45) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL17868857 0.81 NOD2 (0.41) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL13986463 0.80 SMN1; SMN2 (0.43) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL3296461 0.80 NOD2 (0.59) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL689437 0.79 MCL1 (0.56) KDM4ESMN1; SMN2CYP1A2RXFP1TSHR

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 12 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
CN-109988151-B Acetylene compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2021-04-23 CN disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 EP disclosed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 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 (5 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 1156/4885CRHBP 2815/4885CRHR2 4384/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885CRHBP 2815/4885CRHR2 4384/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885CRHBP 2815/4885CRHR2 4384/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885CRHBP 2815/4885CRHR2 4384/4885
US-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 KDM4E 2963/4885CRHBP 2003/4885CRHR2 323/4885

“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.