SCHEMBL20142740

SCHEMBL20142740

CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
NPSR1 Q6W5P4 5/20 0.64
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RAB9A P51151 2/20 0.63
GLA P06280 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
PDE4D Q08499 3/20 0.60
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TP53 P04637 1/20 0.53
ALOX12 P18054 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL17340395 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL20142405 0.84 ALDH1A1 (0.79) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL17340394 0.82 ALDH1A1 (0.81) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL20142756 0.79 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL6070059 0.78 PDE4D (0.80) ALDH1A1NPSR1NPC1RAB9APDE4D
SCHEMBL6069548 0.75 PDE4D (1.00) ALDH1A1NPSR1NPC1RAB9APDE4D
SCHEMBL1753109 0.74 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL16797269 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL12087991 0.72 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL2554005 0.72 PDE4D (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378255-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2025-08-05 US disclosed
US-20240182478-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION 2024-06-06 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-20220298162-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-09-22 US disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 US disclosed
EP-3538513-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE Dynavax Technologies Corporation (US) 2019-09-18 EP disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 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-20220298162-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 ALDH1A1 3948/4885CYP3A4 4296/4885CYP2C9 3719/4885
US-20240182478-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 ALDH1A1 3948/4885CYP3A4 4296/4885CYP2C9 3719/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 ALDH1A1 3948/4885CYP3A4 4296/4885CYP2C9 3719/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 ALDH1A1 3948/4885CYP3A4 4296/4885CYP2C9 3719/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 ALDH1A1 4038/4885CYP3A4 4485/4885CYP2C9 3522/4885
US-12378255-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 ALDH1A1 3948/4885CYP3A4 4296/4885CYP2C9 3719/4885

“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.