SCHEMBL2078646

SCHEMBL2078646

O=[N+]([O-])c1ccccc1N1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GRM5 P41594 1/20 0.47
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
MITF O75030 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
HSD11B1 P28845 1/20 0.43
ENPP2 Q13822 2/20 0.42
SIRT2 Q8IXJ6 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
SCHEMBL2078649 1.00 HTT (0.51) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL3435503 1.00 HTT (0.51) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL14207172 0.90 KMT2A (0.51) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL3436244 0.89 ALDH1A1 (0.52) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL3436179 0.83 KMT2A (0.56) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL23057089 0.82 ALDH1A1 (0.52) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL29979384 0.82 ALDH1A1 (0.52) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL3436169 0.81 ALDH1A1 (0.56) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL30784064 0.80 MAPT (0.60) HTTKMT2ALMNAALDH1A1GRM5
SCHEMBL1274938 0.80 HTT (0.73) HTTKMT2ALMNAALDH1A1GRM5

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 7 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-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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 1707/4885LMNA 4712/4885

“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.