SCHEMBL3436271

SCHEMBL3436271

CCCNC(=O)c1csc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HDAC1 Q13547 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
TDP1 Q9NUW8 2/20 0.62
ACKR3 P25106 2/20 0.61
HPGDS O60760 3/20 0.60
TLR7 Q9NYK1 2/20 0.58
MAPT P10636 3/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
HIF1A Q16665 1/20 0.56
GAA P10253 2/20 0.55

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
SCHEMBL20170935 0.90 HPGDS (0.61) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3547707 0.90 HPGDS (0.61) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3436397 0.89 HPGD (0.68) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12789158 0.89 HPGD (0.69) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25551135 0.89 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27966332 0.86 HPGD (0.66) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26453259 0.84 HPGD (0.63) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12790089 0.83 HPGD (0.69) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3436418 0.83 HDAC2 (0.51) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25510789 0.83 HPGDS (0.49) HPGDCYP1A2CYP3A4CYP2C9CYP2C19

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 HPGD 1166/4885CYP1A2 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.