SCHEMBL6717035

SCHEMBL6717035

Cc1cc(-c2ccccc2)ccc1NNC(=O)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
ABCB1 P08183 3/20 0.42
ABCC1 P33527 3/20 0.42
KCNMA1 Q12791 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6714265 0.93 KMT2A (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8348043 0.92 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8346790 0.86 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6723529 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL6718664 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6716834 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6713812 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6821714 0.80 SLC1A3 (0.45) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL6713795 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6717232 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA

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-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 ALDH1A1 572/4885MEN1 2933/4885KMT2A 2020/4885

“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.