SCHEMBL3758250

SCHEMBL3758250

NCCCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PLCD1 P51178 1/20 0.40
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
TPSAB1 Q15661 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
FOLH1 Q04609 2/20 0.37
CAPN1 P07384 2/20 0.37
FGF1 P05230 1/20 0.37
FGF2 P09038 1/20 0.37
VEGFA P15692 1/20 0.37
HPSE Q9Y251 1/20 0.37

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
SCHEMBL13049592 1.00 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL13049465 1.00 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL13080217 1.00 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL18501099 0.93 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL19751702 0.90 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL4965653 0.90 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL4962526 0.88 TDP1 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL20123249 0.84 TDP1 (0.42) TDP1CA1CA2PLCD1ITGB1
SCHEMBL3758247 0.84 TDP1 (0.42) TDP1CA1CA2PLCD1ITGB1
SCHEMBL13049595 0.84 TDP1 (0.42) TDP1CA1CA2PLCD1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 TDP1 118/4885CA12 4560/4885CA1 4364/4885

“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.