SCHEMBL19180339

SCHEMBL19180339

CNc1nc2oc3cnc(C4CCCC4)cc3c(=O)c2cc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 19/20 0.72
▸ IKBKE Q14164 7/20 0.50
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19182132 0.99 TBK1 (0.74) TBK1IKBKEKDM4ENPC1ALDH1A1
SCHEMBL19181499 0.98 TBK1 (0.69) TBK1IKBKEKDM4ENPC1ALDH1A1
SCHEMBL19180093 0.85 TBK1 (0.98) TBK1IKBKE
SCHEMBL19180498 0.84 TBK1 (1.00) TBK1IKBKE
SCHEMBL19180466 0.83 TBK1 (0.50) TBK1IKBKE
SCHEMBL19180548 0.83 TBK1 (0.73) TBK1IKBKEKDM4ENPC1ALDH1A1
SCHEMBL19180131 0.82 TBK1 (0.94) TBK1IKBKE
SCHEMBL19182236 0.82 TBK1 (0.52) TBK1IKBKE
SCHEMBL19182317 0.82 TBK1 (0.73) TBK1IKBKE
SCHEMBL19180599 0.82 TBK1 (0.50) TBK1IKBKEKDM4ENPC1ALDH1A1

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 189/4885KDM4E 1570/4885

“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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