SCHEMBL3436620

SCHEMBL3436620

Cc1ccccc1C1=CCCN(CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
RAD52 P43351 1/20 0.38
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MYC P01106 1/20 0.34
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL3436391 0.88 KDM4E (0.45) MAPTDRD2HTR1AKDM4E
SCHEMBL3436022 0.85 RAD52 (0.39) MAPTRAD52HTR1AKDM4E
SCHEMBL3436524 0.81 CCNT1 (0.42) MAPTDRD2HTR1AKDM4EPLA2G7
SCHEMBL3434230 0.80 CTSD (0.41) MAPT
SCHEMBL2078054 0.73 KDM4E (0.43) MAPTHTR1AKDM4E
SCHEMBL3436388 0.72 PDK4 (0.44) MAPTPLA2G7
SCHEMBL3436698 0.71 CDK9 (0.55)
SCHEMBL3436504 0.71 CDK9 (0.53) DRD2
SCHEMBL10576624 0.70 DRD2 (0.48) DRD2HTR1AKDM4E
SCHEMBL3567115 0.69 CCNT1 (0.41) MAPTHTR1AKDM4E

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 MAPT 1330/4885RAD52 4165/4885DRD2 3571/4885

“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.