SCHEMBL5779858

SCHEMBL5779858

CC(=O)Nc1ccc(-c2cncn2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PGR P06401 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GSK3B P49841 7/20 0.45
DYRK1A Q13627 7/20 0.45
WNT1 P04628 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 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
SCHEMBL22144037 0.78 IDO1 (0.47) GSK3BDYRK1AWNT1IDO1
SCHEMBL5778130 0.77 IDO1 (0.46) GSK3BDYRK1AWNT1IDO1
SCHEMBL28181744 0.76 ALDH1A1 (0.51) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL19706556 0.76 PIK3C3 (0.53) GSK3BDYRK1AWNT1
SCHEMBL5344758 0.76 HPGDS (0.53) GSK3BDYRK1AWNT1IDO1CYP3A4
SCHEMBL22143828 0.75 IDO1 (0.47) SMN1; SMN2ALDH1A1GSK3BDYRK1AWNT1
SCHEMBL22143832 0.75 TAAR1 (0.44) SMN1; SMN2HTTMEN1KMT2AGSK3B
SCHEMBL10985317 0.74 IDO1 (0.53) GSK3BDYRK1AWNT1IDO1
SCHEMBL3818831 0.73 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL16201493 0.73 GSK3B (0.45) SMN1; SMN2MAPTMEN1KMT2AGSK3B

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT SMN1; SMN2 2146/4885HTT 3/4885L3MBTL1 2337/4885

“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.