SCHEMBL16677017

SCHEMBL16677017

CCCN(C)CCCN1C(=O)N(Cl)C(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
MAOB P27338 1/20 0.31
SLC6A4 P31645 3/20 0.31
STAT3 P40763 1/20 0.30
HIF1A Q16665 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
SCHEMBL20462217 0.89 PTGS1 (0.38) NR1H2NR1H3MAOB
SCHEMBL5584067 0.80 PTGS1 (0.46) NR1H2NR1H3
SCHEMBL5584310 0.80 PTGS1 (0.46) NR1H2NR1H3
SCHEMBL5584605 0.80 PTGS1 (0.46) NR1H2NR1H3
SCHEMBL16676923 0.78 TERT (0.39) RAB9ASLC6A4STAT3HIF1A
SCHEMBL16674714 0.72 MEN1 (0.44)
SCHEMBL5586971 0.71 ELANE (0.44) RAB9A
SCHEMBL19154890 0.70 TYMS (0.33) NR1H2NR1H3
SCHEMBL8282748 0.70 SMN1; SMN2 (0.38) NR1H2NR1H3
SCHEMBL1320959 0.69 POLB (0.45) RAB9A

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-20150118179-A1 BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME UNIVERSITY OF MANITOBA (CA) 2015-04-30 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-20150118179-A1 BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME NQO2, DLAT, TYR RAB9A 1919/4885NR1H2 4478/4885NR1H3 4261/4885

“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.