SCHEMBL2013447

SCHEMBL2013447

Cn1nnc2cccc(C(=O)O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
HCAR3 P49019 1/20 0.45
KEAP1 Q14145 2/20 0.43
SLC9A1 P19634 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
CHRM4 P08173 1/20 0.37
KCNMA1 Q12791 1/20 0.36
MGAM O43451 1/20 0.36
F12 P00748 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL30843989 0.85 SLC9A1 (0.42) HCAR3KEAP1SLC9A1ALDH1A1KDM4E
SCHEMBL2014506 0.82 KDM4E (0.43) KEAP1SLC9A1ALDH1A1NFE2L2KDM4E
SCHEMBL6274820 0.81 KDM4E (0.45) DHODHSLC9A1ALDH1A1ALOX15KDM4E
SCHEMBL5921930 0.81 KDM4E (0.45) DHODHSLC9A1ALDH1A1ALOX15KDM4E
SCHEMBL17909972 0.75 DHODH (0.46) DHODHHCAR3KEAP1NFE2L2HSD17B10
SCHEMBL28453582 0.74 RAB9A (0.56) DHODHHCAR3SLC9A1KDM4EHPGD
SCHEMBL8040200 0.74 SLC9A1 (0.48) HCAR3KEAP1SLC9A1ALDH1A1NFE2L2
SCHEMBL20873823 0.73 HCAR3 (0.43) HCAR3KEAP1NFE2L2KDM4EHPGD
SCHEMBL28450969 0.73 GRM2 (0.54) HCAR3SLC9A1ALDH1A1KDM4EHPGD
SCHEMBL2012449 0.72 HCAR3 (0.45) DHODHHCAR3KEAP1SLC9A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 WO disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 DHODH 362/4885HCAR3 618/4885KEAP1 963/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 DHODH 3826/4885HCAR3 4325/4885KEAP1 385/4885

“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.