SCHEMBL5359783

SCHEMBL5359783

COC(=O)CCCCCNC(=O)COc1cc(C)c(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL5368058 0.90 SMN1; SMN2 (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5370473 0.86 ALDH1A1 (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5366028 0.82 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5366036 0.82 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5368271 0.77 MAPK1 (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5724310 0.76 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5369496 0.76 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5364442 0.76 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5724315 0.76 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5370527 0.75 TSHR (0.46) ALDH1A1LMNAMAPK1

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPT 4649/4885MEN1 2438/4885KMT2A 1672/4885

“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.