SCHEMBL6465771

SCHEMBL6465771

CC(=O)NC(C(=O)O)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
KCNN4 O15554 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PKM P14618 1/20 0.37
ELANE P08246 1/20 0.36
CYP1A2 P05177 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL4388492 0.72 CYP1A2 (0.45) MAPTKCNN4ALDH1A1MAPK1CYP1A2
SCHEMBL9582212 0.72 ALDH1A1 (0.46) MAPTALDH1A1HTTMAPK1RAB9A
SCHEMBL10741457 0.71 KCNN4 (0.44) MAPTKCNN4ALDH1A1NPC1RAB9A
SCHEMBL886995 0.71 CYP1A2 (0.43) MAPTKCNN4ALDH1A1MAPK1CYP1A2
SCHEMBL15881583 0.71 KCNN4 (0.44) MAPTKCNN4ALDH1A1NPC1RAB9A
SCHEMBL3322720 0.70 MAPT (0.50) MAPTKCNN4ALDH1A1NPC1RAB9A
SCHEMBL8226385 0.70 KCNN4 (0.50) MAPTKCNN4ALDH1A1NPC1RAB9A
SCHEMBL31358110 0.70 KCNN4 (0.47) MAPTKCNN4ALDH1A1NPC1RAB9A
SCHEMBL28071047 0.70 CTSD (0.36) MAPTKCNN4ALDH1A1HTTNPC1
SCHEMBL2555569 0.69 MAPT (0.44) MAPTKCNN4ALDH1A1HTTNPC1

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT MAPT 2111/4885THRB 1479/4885KCNN4 3258/4885

“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.