SCHEMBL2080779

SCHEMBL2080779

NC(=O)C1CCN(c2ccccc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.55
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.45
TDP2 O95551 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
GALK1 P51570 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL2077582 0.90 GAA (0.60) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL3436359 0.83 NOTUM (0.54) NOTUMGAAMEN1KMT2ASMN1; SMN2
SCHEMBL13723856 0.82 MEN1 (0.51) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL2078997 0.82 MEN1 (0.51) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL2559578 0.81 KMT2A (0.60) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL23379676 0.79 GAA (0.63) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL16695124 0.79 NOTUM (0.75) NOTUMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2183374 0.79 NOTUM (0.75) NOTUMMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30098430 0.78 NOTUM (0.73) NOTUMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3436206 0.77 GAA (0.59) NOTUMGAAMEN1KMT2AUSP2

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 5 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
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 NOTUM 3349/4885GAA 3904/4885MEN1 4778/4885

“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.