SCHEMBL3436388

SCHEMBL3436388

Cc1ccccc1C1=CCN(C(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
PLA2G7 Q13093 2/20 0.40
LIMK1 P53667 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
SCHEMBL22324761 0.87 ALDH1A1 (0.47) PDK4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3436391 0.82 KDM4E (0.45) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL3436390 0.80 AKR1C3 (0.53) MAPTALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL3436385 0.80 PDK4 (0.69) PDK4NAMPTGRM5GRM1
SCHEMBL3436524 0.77 CCNT1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAPLA2G7
SCHEMBL13999795 0.75 L3MBTL1 (0.40) MAPTNPC1ALOX15RAB9ALMNA
SCHEMBL1078756 0.74 KDM4E (0.55) ALOX15LMNAL3MBTL1POLB
SCHEMBL29387382 0.74 KDM4E (0.55) ALOX15LMNAL3MBTL1POLB
Hydrochloric Acid SCHEMBL2263936 0.74 KDM4E (0.55) ALOX15LMNAL3MBTL1POLB
SCHEMBL19284621 0.74 MAPT (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 PDK4 1001/4885MAPT 1330/4885ALDH1A1 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.