SCHEMBL7532885

SCHEMBL7532885

Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.58
FBP1 P09467 1/20 0.58
GRIN1 Q05586 5/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL8692420 0.87 GPR17 (0.48) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL19330831 0.85 GPR17 (0.43) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL19331208 0.81 GPR17 (0.46) GPR17FBP1MEN1KMT2AHPGD
SCHEMBL27374215 0.81 GPR17 (0.60) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL29813056 0.80 ALOX15 (0.52) GPR17FBP1CYP1A2CYP2C9HPGD
SCHEMBL6220087 0.80 ALOX15 (0.52) GPR17FBP1CYP1A2CYP2C9HPGD
SCHEMBL8752557 0.80 GPR17 (0.58) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL7535729 0.80 GPR17 (0.58) GPR17GRIN1MEN1KMT2AGRIN2D
SCHEMBL266498 0.80 GPR17 (0.70) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL7951010 0.78 MEN1 (0.64) GPR17MEN1CYP1A2BLMKMT2A

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-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
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
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 GPR17 1299/4885FBP1 963/4885GRIN1 3808/4885
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS IDO1, IDO2, INMT GPR17 636/4885FBP1 684/4885GRIN1 3574/4885

“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.