SCHEMBL19180576

SCHEMBL19180576

[2H]CC([2H])(C)c1ccc2oc3nc(N)c(C(=O)OCC)cc3c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 18/20 0.62
▸ IKBKE Q14164 8/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ TTR P02766 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ GPR35 Q9HC97 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.56

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 0.91 TBK1 (0.74) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL10513094 0.87 TBK1 (0.67) TBK1IKBKERAB9ANPC1KDM4E
Amlexanox SCHEMBL16216162 0.86 TBK1 (0.82) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL19182074 0.84 TBK1 (0.74) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL19204191 0.83 TBK1 (0.63) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL19181434 0.82 TBK1 (0.76) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL19180639 0.81 TBK1 (0.84) TBK1IKBKERAB9ANPC1KDM4E
Amlexanox SCHEMBL16216144 0.81 TBK1 (0.87) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL10512142 0.81 TBK1 (0.68) TBK1IKBKERAB9ANPC1KDM4E
SCHEMBL19182278 0.80 TBK1 (0.77) TBK1IKBKERAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — 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 (1 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-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 TBK1 494/4885IKBKE 189/4885RAB9A 2660/4885

“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.

Send feedback