SCHEMBL3436151

SCHEMBL3436151

C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
KMT2A Q03164 3/20 0.51
HTR1A P08908 2/20 0.47
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD4 P21917 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 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
SCHEMBL3800773 1.00 HTT (0.55) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL6195201 0.84 MAPT (0.60) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL6196541 0.84 MAPT (0.60) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL6197167 0.84 MAPT (0.60) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL3619197 0.82 AR (0.61) HTTKMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL3619196 0.82 AR (0.61) HTTKMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL3435503 0.79 HTT (0.51) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL2078649 0.79 HTT (0.51) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL2078646 0.79 HTT (0.51) HTTKMT2AHTR1AHSD11B1ALDH1A1
SCHEMBL14207172 0.79 KMT2A (0.51) HTTKMT2AHTR1AHSD11B1ALDH1A1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTT 4067/4885KMT2A 1707/4885HTR1A 1745/4885

“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.