SCHEMBL15730801

SCHEMBL15730801

O=[N+]([O-])c1ccccc1OCCO[C@@H]1OCCO[C@@H]1OCCOc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
RECQL P46063 2/20 0.67
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL15708773 1.00 NPC1 (0.67) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL20869625 0.93 NPC1 (0.57) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL9187561 0.82 NPC1 (1.00) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL8809242 0.78 RAB9A (0.58) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL13531827 0.77 NPC1 (0.89) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL13435257 0.77 NPC1 (0.89) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL9642715 0.77 NPC1 (0.89) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL29905043 0.76 NPC1 (0.79) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL2057627 0.76 NPC1 (0.79) NPC1RAB9ARECQLCYP1A2CYP2D6
SCHEMBL1340747 0.74 RAB9A (0.83) NPC1RAB9ARECQLALDH1A1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190091265-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-03-28 US disclosed
US-10188682-B2 Medicament for liver regeneration and for treatment of liver failure Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-01-29 US disclosed
EP-2694652-B1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-02-01 EP disclosed
US-20160022742-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-01-28 US disclosed
US-20160022742-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-01-28 US disclosed
US-9186381-B2 Medicament for liver regeneration and for treatment of liver failure HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-11-17 US disclosed
US-9186381-B2 Medicament for liver regeneration and for treatment of liver failure HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-11-17 US disclosed
US-20140141510-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2014-05-22 US disclosed
US-20140141510-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2014-05-22 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 (4 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-20160022742-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 NPC1 3147/4885RAB9A 4262/4885RECQL 3372/4885
US-20140141510-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 NPC1 3147/4885RAB9A 4262/4885RECQL 3372/4885
US-20190091265-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 NPC1 3147/4885RAB9A 4262/4885RECQL 3372/4885
US-10188682-B2 Medicament for liver regeneration and for treatment of liver failure PYGL, HNF4A, ATF1 NPC1 3147/4885RAB9A 4262/4885RECQL 3372/4885

“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.