SCHEMBL6715694

SCHEMBL6715694

COc1ccc(NC(=O)N(S)C(C(=O)Nc2c(C)cccc2C)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 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
SCHEMBL6723757 0.94 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6717674 0.93 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6715668 0.93 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6716685 0.91 MAPT (0.52) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6715421 0.90 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6723841 0.89 MAPT (0.52) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6717161 0.89 ALDH1A1 (0.53) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6719452 0.89 MAPT (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6715691 0.88 MAPT (0.54) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6715745 0.87 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US claimed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO claimed
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 RAB9A 2094/4885NPC1 120/4885MAPT 427/4885

“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.