SCHEMBL13624213

SCHEMBL13624213

CCCCOC(=O)C1CN(c2ccc([N+](=O)[O-])cc2)CCO1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
AKR1C3 P42330 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
GALR3 O60755 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL13624224 0.85 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL25845895 0.79 MAPT (0.78) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL17630429 0.78 AKR1C3 (0.51) MAPTALDH1A1MAPK1AKR1C3TDP1
SCHEMBL16569899 0.76 MAPT (0.58) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL27464372 0.74 MAPT (0.79) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31438048 0.74 MEN1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL14241535 0.72 SIRT6 (0.53) MAPTALDH1A1LMNARAB9AAKR1C3
SCHEMBL17630536 0.71 SIRT6 (0.49) MAPTALDH1A1MAPK1AKR1C3TDP1
SCHEMBL17630533 0.71 SIRT6 (0.49) MAPTALDH1A1MAPK1AKR1C3TDP1
SCHEMBL3568725 0.70 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAHTT

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MAPT 480/4885ALDH1A1 2506/4885SMN1; SMN2 4525/4885

“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.