SCHEMBL6426015

SCHEMBL6426015

NCCC1SC(NC2CCCCC2)=NC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.31
AOC3 Q16853 2/20 0.31
FYN P06241 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
ELANE P08246 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
MITF O75030 1/20 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
SCHEMBL1605237 0.85 ADORA1 (0.34) FYNNPC1RAB9ASMN1; SMN2
SCHEMBL1605232 0.85 SLC29A1 (0.34) FYNNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL6394519 0.84 ADORA1 (0.33) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1385640 0.82 SMN1; SMN2 (0.42) FYNNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5023734 0.82 FYN (0.32) FYNKDM4EGAAELANE
SCHEMBL1383700 0.82 FYN (0.32) FYNKDM4EGAAELANE
SCHEMBL5450660 0.82 SMN1; SMN2 (0.42) FYNNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1386746 0.82 SMN1; SMN2 (0.42) FYNNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1384124 0.82 SMN1; SMN2 (0.42) FYNNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1605475 0.82 FYN (0.32) FYNKDM4EGAAELANE

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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 (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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 AOC1 2668/4885AOC3 1762/4885FYN 4105/4885

“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.