SCHEMBL3435622

SCHEMBL3435622

CN1CCN(c2ccccc2[N+](=O)[O-])CC1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR1A P08908 3/20 0.47
ENPP2 Q13822 5/20 0.45
GRM5 P41594 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 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
SCHEMBL15771419 0.83 ATR (0.45) LMNAHTTALDH1A1KMT2AHTR1A
SCHEMBL20914810 0.83 MAPT (0.50) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL3436285 0.78 ADRB1 (0.46) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3435675 0.77 ADRA2C (0.53) HTTKMT2AHTR1AMAPTMAPK1
SCHEMBL3539393 0.76 ATR (0.35) KMT2ADRD2DRD4DRD3
SCHEMBL16206947 0.76 SIRT6 (0.56) LMNAHTTALDH1A1KMT2AHTR1A
SCHEMBL22471324 0.76 SIRT6 (0.56) LMNAHTTALDH1A1KMT2AHTR1A
SCHEMBL16195492 0.76 SIRT6 (0.56) LMNAHTTALDH1A1KMT2AHTR1A
SCHEMBL1274938 0.75 HTT (0.73) LMNAHTTALDH1A1KMT2AHTR1A
SCHEMBL3064690 0.74 HTT (0.68) LMNAHTTALDH1A1KMT2AGRM5

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 LMNA 4712/4885HTT 4067/4885ALDH1A1 975/4885

“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.