SCHEMBL5776531

SCHEMBL5776531

C(=NNc1ccc(-c2cnco2)cc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
GAA P10253 9/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
ALDH1A1 P00352 6/20 0.61
LMNA P02545 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
GFER P55789 1/20 0.61
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL5778806 0.88 NOX1 (0.54) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5778811 0.88 NOX1 (0.54) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL14742652 0.85 RAB9A (0.55) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5776228 0.85 RAB9A (0.55) MAPTGAASMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5778200 0.84 RAB9A (0.57) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5777785 0.81 MPO (0.50) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5779271 0.81 NPC1 (0.47) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5777782 0.81 MPO (0.50) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5779274 0.81 NPC1 (0.47) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5779700 0.81 GAA (0.42) MAPTGAASMN1; SMN2ALDH1A1LMNA

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 MAPT 94/4885GAA 3175/4885SMN1; SMN2 2146/4885

“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.