SCHEMBL3436216

SCHEMBL3436216

CC(=O)N1CCCN(C(N)=S)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CD O00329 1/20 0.39
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
DPP4 P27487 1/20 0.35
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 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
SCHEMBL5430146 0.93 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL1197207 0.83 CYP1A2 (0.65) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL23011655 0.82 CYP1A2 (0.52) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL1640600 0.81
SCHEMBL3948604 0.81
SCHEMBL9800 0.81
Hydrochloric Acid SCHEMBL21357350 0.78
SCHEMBL5844650 0.76 MGLL (0.47) CYP1A2TDP1ALDH1A1POLBKMT2A
SCHEMBL13654320 0.76 CYP1A2 (0.50) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL1126889 0.75

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 CYP1A2 1955/4885TDP1 1881/4885ALDH1A1 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.