SCHEMBL3436174

SCHEMBL3436174

O=[N+]([O-])c1cccnc1N1C[C@H](O)C[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HSD11B1 P28845 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
SCHEMBL31343835 0.81 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL3436574 0.78 KCNJ5 (0.40) HSD11B1
SCHEMBL3435679 0.78 GRIN2D (0.36) L3MBTL1HSD11B1
SCHEMBL31343587 0.77 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL14207431 0.76 CYP1A2 (0.66) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL17111489 0.73 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL14377392 0.71 CYP1A2 (0.71) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2388902 0.71 GBA1 (0.43) ALDH1A1MAPTPOLB
SCHEMBL6098711 0.71 GBA1 (0.43) ALDH1A1MAPTPOLB
SCHEMBL12124666 0.71 CYP1A2 (0.66) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9

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 MEN1 4778/4885KMT2A 1707/4885SMN1; SMN2 3601/4885

“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.