SCHEMBL16210853

SCHEMBL16210853

COC(=O)c1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1N

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 17/20 0.78
▸ IKBKE Q14164 8/20 0.78
▸ NPC1 O15118 4/20 0.78
▸ RAB9A P51151 4/20 0.78
▸ KDM4E B2RXH2 1/20 0.78
▸ ABCC4 O15439 1/20 0.78
▸ TTR P02766 1/20 0.78
▸ GAA P10253 1/20 0.78
▸ PKM P14618 1/20 0.78
▸ ADRA1A P35348 1/20 0.78
▸ OPRD1 P41143 1/20 0.78
▸ PDE4D Q08499 1/20 0.78
▸ PDE3A Q14432 1/20 0.78
▸ GPR35 Q9HC97 1/20 0.78
▸ RXFP1 Q9HBX9 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL17548698 0.89 TBK1 (0.74) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL29642 0.88 TBK1 (1.00) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL5058549 0.88 TBK1 (1.00) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL29441547 0.88 TBK1 (1.00) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL29381739 0.88 TBK1 (1.00) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL19199806 0.87 TBK1 (1.00) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL2902814 0.87 TBK1 (0.98) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL19197522 0.87 TBK1 (0.81) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL2908304 0.87 TBK1 (0.98) TBK1IKBKENPC1RAB9AKDM4E
Amlexanox SCHEMBL2907023 0.87 TBK1 (0.98) TBK1IKBKENPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590142-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-03-17 — — US disclosed
EP-2991647-B1 DEUTERATED AMLEXANOX WITH IMPROVED METABOLIC STABILITY UNIV MICHIGAN REGENTS (US) 2019-04-24 — — EP disclosed
US-9944652-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-04-17 — — US disclosed
US-20160251366-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-09-01 — — US disclosed
US-9365581-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-14 — — US disclosed
US-20160060271-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-03 — — US disclosed
US-8946424-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-02-03 — — US disclosed
US-20140329848-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-06 — — 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 (4 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-10590142-B2 Deuterated amlexanox DDX3X, DHX30, HAX1 TBK1 3563/4885IKBKE 3768/4885NPC1 2073/4885
US-20140329848-A1 DEUTERATED AMLEXANOX DDX3X, DHX30, HAX1 TBK1 3563/4885IKBKE 3768/4885NPC1 2073/4885
US-20160060271-A1 DEUTERATED AMLEXANOX AADAC, GPR119, IAPP TBK1 1397/4885IKBKE 1010/4885NPC1 2109/4885
US-20160251366-A1 DEUTERATED AMLEXANOX DDX3X, DHX30, HAX1 TBK1 3563/4885IKBKE 3768/4885NPC1 2073/4885

“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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