SCHEMBL20869573

SCHEMBL20869573

Nc1ccccc1OCCCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
HTT P42858 2/20 0.58
MAPT P10636 1/20 0.58
NPY1R P25929 1/20 0.58
NPY2R P49146 1/20 0.58
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL20682737 0.86 L3MBTL1 (1.00) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL15709049 0.86 L3MBTL1 (1.00) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL8637458 0.84 L3MBTL1 (0.70) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL9700301 0.79 L3MBTL1 (0.84) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL20854834 0.76 L3MBTL1 (0.77) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL7366723 0.74 L3MBTL1 (0.71) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL9563286 0.74 CYP2D6 (0.70) L3MBTL1HTTMAPTCYP2D6CYP2C19
SCHEMBL27870149 0.73 CYP2D6 (0.69) L3MBTL1HTTCYP2D6CYP2C19CYP1A2
SCHEMBL6221394 0.73 NPC1 (0.66) L3MBTL1HTTMAPTCYP2D6CYP2C19
SCHEMBL8610306 0.72 MAPT (0.70) L3MBTL1HTTMAPTKMT2AALDH1A1

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 L3MBTL1 407/4885HTT 4857/4885MAPT 4517/4885

“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.