SCHEMBL3436701

SCHEMBL3436701

Cc1ccsc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.40
MAPK10 P53779 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MAPK8 P45983 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3436013 0.84 GAA (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3435984 0.79 LMNA (0.42) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11377242 0.77 HRH1 (0.48) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL5228101 0.74 MEN1 (0.55) GAAKMT2AMAPTMEN1POLB
SCHEMBL3436278 0.73 LMNA (0.55) GAALMNAMAPTALDH1A1KDM4E
SCHEMBL4403555 0.72 CA1 (0.56) GAAKMT2ALMNAMAPTMEN1
SCHEMBL9024972 0.71 L3MBTL1 (0.42) GAACYP1A2KMT2ALMNAMAPT
SCHEMBL3436302 0.71 TSHR (0.66) GAAKMT2ALMNAMAPTMEN1
SCHEMBL3436303 0.71 HTT (0.53) KMT2ALMNAMAPTMEN1POLB
Bromide SCHEMBL7296632 0.70 L3MBTL1 (0.41) GAACYP1A2KMT2ALMNAMAPT

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 GAA 3904/4885CYP1A2 1955/4885CYP3A4 1991/4885

“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.