SCHEMBL19076184

SCHEMBL19076184

COc1ccccc1/C=C/c1ncccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.59
▸ TRPA1 O75762 1/20 0.59
▸ CYP1A1 P04798 4/20 0.54
▸ CYP1A2 P05177 4/20 0.54
▸ CYP1B1 Q16678 4/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP19A1 P11511 1/20 0.53
▸ TFEB P19484 1/20 0.51
▸ PTGS1 P23219 3/20 0.49
▸ PTGS2 P35354 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28347777 1.00 NFE2L2 (0.59) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL4268604 0.86 NFE2L2 (0.56) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL7915752 0.84 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1603719 0.84 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL4019329 0.84 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL19076160 0.84 NPC1 (0.74) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL16915441 0.78 KMT2A (0.52) NFE2L2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL16915443 0.78 KMT2A (0.52) NFE2L2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL9665310 0.77 NFE2L2 (0.63) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9000303 0.77 NFE2L2 (0.63) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 — — US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — 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 (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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 NFE2L2 2281/4885TRPA1 3056/4885CYP1A1 4433/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 NFE2L2 2281/4885TRPA1 3056/4885CYP1A1 4433/4885

“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.

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