SCHEMBL3436148

SCHEMBL3436148

O=C1CN(C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRM5 P41594 1/20 0.41
DRD4 P21917 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTR1A P08908 1/20 0.38
ENPP2 Q13822 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL3435473 0.82 KMT2A (0.49) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL14335123 0.82 MAPT (0.49) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL14334521 0.81 KMT2A (0.47) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL3436500 0.80 ADRB1 (0.48) KMT2AALDH1A1LMNASMN1; SMN2OPRM1
SCHEMBL3435100 0.80 MEN1 (0.49) KMT2AL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL14206650 0.79 HTT (0.52) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL14335038 0.78 HTT (0.51) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL3435964 0.78 HTT (0.51) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL10373056 0.76 KMT2A (0.58) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL3435490 0.76 CTSB (0.52) KMT2AHTTALDH1A1LMNAMAPT

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 KMT2A 1707/4885HTT 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.