SCHEMBL286346

SCHEMBL286346

COc1c(C#N)cccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
SRC P12931 1/20 0.44
ERN1 O75460 2/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL29951420 1.00 CA1 (0.56) CA1CA2SRCERN1TLR2
SCHEMBL30546704 0.85 CA1 (0.59) CA1CA2SRCERN1TLR2
SCHEMBL29047360 0.85 CA1 (0.59) CA1CA2SRCERN1TLR2
SCHEMBL7966662 0.84 CA1 (0.44) CA1CA2SRCERN1TLR2
SCHEMBL5667224 0.82 CA1 (0.56) CA1CA2SRCERN1TLR2
SCHEMBL16950794 0.82 SMN1; SMN2 (0.44) CA1CA2SMN1; SMN2IMPDH2IMPDH1
SCHEMBL16955444 0.82 IMPDH2 (0.43) CA1CA2SMN1; SMN2IMPDH2IMPDH1
SCHEMBL6736896 0.80 POLB (0.47) CA1CA2SMN1; SMN2IMPDH2IMPDH1
SCHEMBL2787203 0.80 CA1 (0.73) CA1CA2SRCERN1TLR2
SCHEMBL31374370 0.78 LMNA (0.50) CA1CA2SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 US disclosed
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-08-02 US disclosed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US disclosed
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 EP disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 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
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP 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-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 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

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-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A CA1 4759/4885CA2 4738/4885SRC 280/4885
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A CA1 4759/4885CA2 4738/4885SRC 280/4885
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 CA1 4634/4885CA2 4369/4885SRC 4566/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 CA1 1974/4885CA2 294/4885SRC 2537/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A CA1 4759/4885CA2 4738/4885SRC 280/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT CA1 3773/4885CA2 4304/4885SRC 4680/4885

“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.