SCHEMBL801282

SCHEMBL801282

c1ccc(CNC2CC(Cc3ccccn3)CC(NCc3ccccn3)C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
KDM1A O60341 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
CHRM2 P08172 2/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLS O94925 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5539196 0.90 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL29785655 0.90 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL1732541 0.90 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL14149754 0.90 MAOA (0.47) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL13280435 0.81 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL662711 0.80 MAOA (0.57) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4799055 0.78 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL14862724 0.77 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL31706160 0.77 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL17715643 0.76 MAOA (0.47) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1

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-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST EMORY UNIVERSITY (US) 2012-03-22 US disclosed
US-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST EMORY UNIVERSITY (US) 2012-03-22 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-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST SNRPE, NSUN2, SNRPA MAOA 1228/4885MAOB 1122/4885KDM1A 3501/4885

“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.