SCHEMBL3436244

SCHEMBL3436244

O=[N+]([O-])c1ccccc1N1CC[C@@H](O)[C@@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 4/20 0.52
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.49
GRM5 P41594 1/20 0.45
MAPT P10636 6/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
MITF O75030 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 2/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
PBRM1 Q86U86 2/20 0.41
HSD11B1 P28845 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
SCHEMBL3436179 0.92 KMT2A (0.56) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL2078646 0.89 HTT (0.51) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL2078649 0.89 HTT (0.51) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL3435503 0.89 HTT (0.51) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL23057089 0.87 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL29979384 0.87 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL3436169 0.87 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL30784064 0.83 MAPT (0.60) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL3436184 0.81 LMNA (0.64) ALDH1A1LMNAKMT2AHTTGRM5
SCHEMBL13495888 0.81 LMNA (0.50) ALDH1A1LMNAKMT2AHTTGRM5

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
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 ALDH1A1 975/4885LMNA 4712/4885KMT2A 1707/4885

“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.