SCHEMBL1708879

SCHEMBL1708879

COC(=O)c1cccc(C#N)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
CFTR P13569 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL30675637 0.85 MAPT (0.45) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5195730 0.85 MAPT (0.45) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL17077586 0.84 TSHR (0.53) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL16952618 0.83 TSHR (0.44) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL181067 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL7489211 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL3511611 0.82 TSHR (0.57) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL20436373 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL646271 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL14050225 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
WO-2008130370-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS, INC. (US) 2008-10-30 WO disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US disclosed
EP-1324992-B1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2007-08-08 EP disclosed
EP-1324992-B1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2007-08-08 EP disclosed
US-20050192318-A1 Compounds ASTRAZENECA AB (SE) 2005-09-01 US disclosed
US-6924277-B2 Cyclized benzamide neurokinin antagonists for use in therapy ASTRAZENECA AB (SE) 2005-08-02 US disclosed
US-20040029850-A1 Cyclized benzamide neurokinin antagonists for use in therapy ASTRA ZENECA AB (SE) 2004-02-12 US disclosed
EP-1324992-A1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY AstraZeneca AB (SE) 2003-07-09 EP disclosed
WO-2002026724-A1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2002-04-04 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 (6 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 ALDH1A1 1904/4885KDM4E 1401/4885GAA 1028/4885
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells UPF1, RIOX2, RNMT ALDH1A1 1460/4885KDM4E 1290/4885GAA 582/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALDH1A1 1904/4885KDM4E 1401/4885GAA 1028/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT ALDH1A1 959/4885KDM4E 1881/4885GAA 579/4885
US-20050192318-A1 Compounds PCSK9, CYP11B2, CYP27A1 ALDH1A1 1381/4885KDM4E 4125/4885GAA 23/4885
US-20040029850-A1 Cyclized benzamide neurokinin antagonists for use in therapy BDKRB1, BDKRB2, NPY1R ALDH1A1 2186/4885KDM4E 3742/4885GAA 1137/4885

“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.