SCHEMBL5667376

SCHEMBL5667376

[CH2]C(CC)(CC)CCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
NFKB1 P19838 1/20 0.32
FDPS P14324 1/20 0.31
PDE3A Q14432 1/20 0.31
KIF11 P52732 2/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30

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
SCHEMBL23451676 0.82 NFKB1 (0.40) DNM1TSHRNFKB1FDPSPDE3A
SCHEMBL23451670 0.79 NFKB1 (0.38) DNM1TSHRNFKB1FDPSPDE3A
SCHEMBL60278 0.77 TSHR (0.35) TSHRALDH1A1FDPSLMNA
SCHEMBL10664860 0.74
SCHEMBL5706629 0.74
SCHEMBL29064055 0.72 TSHR (0.44) TSHRFDPS
SCHEMBL1018876 0.72 TSHR (0.44) TSHRFDPS
SCHEMBL8670374 0.72 TSHR (0.44) TSHRFDPS
SCHEMBL3951633 0.71
SCHEMBL9237381 0.71 TSHR (0.35) TSHRALDH1A1FDPSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393614-A1 QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS UNIV DUKE (US) 2021-12-23 US claimed
CN-112823006-A Quinone reductase 2 inhibitors as neuroprotective agents 杜克大学 2021-05-18 CN claimed
WO-2020081678-A1 QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS DUKE UNIVERSITY (US) 2020-04-23 WO claimed
US-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 SERENEX, INC. (US) 2006-04-06 US claimed
WO-2006034235-A2 SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 SERENEX, INC. (US) 2006-03-30 WO claimed
US-20210393614-A1 QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS UNIV DUKE (US) 2021-12-23 US disclosed
CN-112823006-A Quinone reductase 2 inhibitors as neuroprotective agents 杜克大学 2021-05-18 CN disclosed
WO-2020081678-A1 QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS DUKE UNIVERSITY (US) 2020-04-23 WO disclosed
US-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 SERENEX, INC. (US) 2006-04-06 US disclosed
WO-2006034235-A2 SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 SERENEX, INC. (US) 2006-03-30 WO 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-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 NQO2, QTRT1, QTRT2 DNM1 1313/4885TSHR 3791/4885MEN1 2864/4885
US-20210393614-A1 QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS NQO1, TXNRD2, NQO2 DNM1 2325/4885TSHR 3982/4885MEN1 2512/4885

“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.