SCHEMBL3620452

SCHEMBL3620452

CCOC(=O)c1cc2c(Br)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MMP13 P45452 4/20 0.41

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
SCHEMBL29813095 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4045461 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18299060 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8198301 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22620763 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17429441 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28455934 0.80 ALOX15 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28844613 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28844724 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3622667 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-02-09 US disclosed
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-02-09 US disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
EP-4034103-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746088-A Indole carboxamide compounds and their use for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
WO-2021062319-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
WO-2021062319-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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 (2 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A KDM4E 3665/4885ALDH1A1 917/4885HPGD 1312/4885
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS IDO1, IDO2, INMT KDM4E 1303/4885ALDH1A1 477/4885HPGD 988/4885

“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.