SCHEMBL25529243

SCHEMBL25529243

COC(=O)c1c2n(cc(-c3ccco3)c1=O)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
ALOX5 P09917 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CFTR P13569 1/20 0.36
NR4A2 P43354 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
PRKDC P78527 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL25229526 0.86 ALOX5 (0.42) ALDH1A1HSD17B10POLBPKMALOX5
SCHEMBL30174263 0.85 ALOX5 (0.39) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL25529232 0.77 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL27218069 0.76 CNR2 (0.33) ALDH1A1MEN1KMT2AHSD17B10ALOX15
SCHEMBL26967948 0.76 PDE3B (0.32) ALDH1A1HSD17B10ALOX15HPGDLMNA
SCHEMBL26967921 0.75 CNR2 (0.35) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL25529231 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL25529250 0.66 RIPK1 (0.36) ALDH1A1TSHRPRKDCCYP1A2
SCHEMBL30174183 0.65 RIPK1 (0.35) PRKDC
SCHEMBL25529256 0.65 ALOX5 (0.44) ALDH1A1MEN1KMT2AHSD17B10ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP 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 (1 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX ALDH1A1 3998/4885MEN1 3817/4885KMT2A 3083/4885

“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.