SCHEMBL3434271

SCHEMBL3434271

CN1CCN(c2cccc(C(N)=O)c2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PARP1 P09874 2/20 0.52
ADRA2C P18825 2/20 0.51
NPC1 O15118 1/20 0.51
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44

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
SCHEMBL3081421 0.85 NPC1 (0.70) KDM4EHSD17B10ALDH1A1PARP1ADRA2C
SCHEMBL3436295 0.84 NPC1 (0.51) KDM4EHSD17B10ALDH1A1PARP1ADRA2C
SCHEMBL2505914 0.84 NPC1 (0.73) KDM4EHSD17B10ALDH1A1PARP1NPC1
SCHEMBL3435480 0.79 MAPT (0.48) KDM4EHSD17B10ALDH1A1PARP1NPC1
SCHEMBL1509507 0.76 ADRA2C (0.72) KDM4EHSD17B10ALDH1A1ADRA2CDRD2
SCHEMBL31172405 0.76 ADRA2C (0.72) KDM4EHSD17B10ALDH1A1ADRA2CDRD2
SCHEMBL31023195 0.76 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1PARP1ADRA2C
SCHEMBL3555024 0.75 ADRA2C (0.59) KDM4EALDH1A1ADRA2CDRD2DRD3
SCHEMBL4831425 0.74 MAPK1 (0.53) KDM4EHSD17B10ALDH1A1MAPK1MAPT
SCHEMBL23294841 0.73 ADRA2C (0.58) KDM4EALDH1A1ADRA2CDRD2DRD3

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-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

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 KDM4E 1834/4885HSD17B10 4247/4885ALDH1A1 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.