SCHEMBL1228229

SCHEMBL1228229

COC(=O)c1cc(Br)cc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SLC40A1 Q9NP59 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PSMD14 O00487 1/20 0.45
MAP2K1 Q02750 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PARP1 P09874 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18369670 0.84 PSMD14 (0.51) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL29046675 0.84 KDM4E (0.55) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL24338474 0.82 KDM4E (0.50) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL4602037 0.81 ALDH1A1 (0.53) KDM4EALOX15ALDH1A1TDP1EGLN1
SCHEMBL20392682 0.80 PARP1 (0.63) KDM4EALDH1A1TDP1L3MBTL1PARP1
SCHEMBL27903815 0.80 KDM4E (0.48) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL17596193 0.80 KDM4E (0.48) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL344528 0.80 ALDH1A1 (0.65) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL9125289 0.79 PSMD14 (0.50) KDM4EALDH1A1PSMD14TDP1PARP1
SCHEMBL29449220 0.79 KDM4E (0.47) KDM4EALOX15HTTALDH1A1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
WO-2024059216-A2 6,6 SOUTHWESTERN CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2024-03-21 WO 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
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 US disclosed
EP-3569596-A1 1,2,4-TRIAZINE-3-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co. Ltd. (CN) 2019-11-20 EP disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 EP disclosed
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed
US-9533982-B2 Substituted bicyclic heteroaryl carboxamide analogs as mGluR5 negative allosteric modulators VANDERBILT UNIVERSITY (US) 2017-01-03 US disclosed
US-9533982-B2 Substituted bicyclic heteroaryl carboxamide analogs as mGluR5 negative allosteric modulators VANDERBILT UNIVERSITY (US) 2017-01-03 US disclosed
US-20150266866-A1 Substituted Bicyclic Heteroaryl Carboxamide Analogs As Mglur5 Negative Allosteric Modulators VANDERBILT UNIVERSITY 2015-09-24 US disclosed
US-20150266866-A1 Substituted Bicyclic Heteroaryl Carboxamide Analogs As Mglur5 Negative Allosteric Modulators VANDERBILT UNIVERSITY 2015-09-24 US disclosed
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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 (8 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 1156/4885ALOX15 3067/4885HTT 1459/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885ALOX15 3067/4885HTT 1459/4885
US-20150266866-A1 Substituted Bicyclic Heteroaryl Carboxamide Analogs As Mglur5 Negative Allosteric Modulators GRM5, GRIK5, GRM2 KDM4E 1020/4885ALOX15 3498/4885HTT 413/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885ALOX15 3067/4885HTT 1459/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 3912/4885ALOX15 1888/4885HTT 2874/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 KDM4E 2031/4885ALOX15 4600/4885HTT 2767/4885
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 KDM4E 1530/4885ALOX15 4561/4885HTT 862/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885ALOX15 3067/4885HTT 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.