SCHEMBL19196681

SCHEMBL19196681

Cc1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.64
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ PKM P14618 2/20 0.60
▸ IKBKE Q14164 2/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ TTR P02766 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 3/20 0.48

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
SCHEMBL20051914 0.87 TBK1 (0.71) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL9213416 0.79 KMT2A (0.68) NPC1RAB9AKDM4EPKMTTR
SCHEMBL19196792 0.78 TBK1 (1.00) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL20693662 0.78 TBK1 (0.69) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL19204321 0.78 TBK1 (0.73) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL20694089 0.76 TBK1 (0.81) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL19180556 0.76 TBK1 (0.72) TBK1NPC1RAB9AKDM4EPKM
SCHEMBL19182273 0.75 TBK1 (1.00) TBK1NPC1RAB9AKDM4EPKM
Amlexanox SCHEMBL29381739 0.75 TBK1 (1.00) TBK1NPC1RAB9AKDM4EPKM
Amlexanox SCHEMBL29642 0.75 TBK1 (1.00) TBK1NPC1RAB9AKDM4EPKM

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 1 patent. 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

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 494/4885NPC1 1598/4885RAB9A 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.

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