SCHEMBL6718673

SCHEMBL6718673

Cc1cccc(C)c1NC(=O)C(NC(=S)Nc1ccc(OCCN(C)C)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
MAPT P10636 9/20 0.46
MAPK1 P28482 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPSR1 Q6W5P4 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL6717144 0.99 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6717245 0.93 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6716681 0.90 SMN1; SMN2 (0.55) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6715692 0.86 MEN1 (0.55) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6718999 0.86 MEN1 (0.43) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL8345944 0.86 MEN1 (0.43) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6716953 0.85 HRH3 (0.41) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL6717157 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6716665 0.82 SMN1; SMN2 (0.56) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL8348052 0.82 MEN1 (0.53) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2

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 5 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
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 ALDH1A1 572/4885MAPT 427/4885MAPK1 1336/4885

“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.