SCHEMBL5776815

SCHEMBL5776815

O=Cc1ccc(N2CCN(C(=O)O)CC2)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.49
ALDH3A1 P30838 1/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.40
CSF1R P07333 1/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.36
POLB P06746 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL19212190 0.84 ALDH1A3 (0.46) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4138974 0.82 ALDH1A1 (0.68) ALDH1A3ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL19212321 0.79 ALDH1A3 (0.46) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30501279 0.79 ALDH1A1 (0.44) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4756395 0.74 TRIM24 (0.61) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL103066 0.73 NPC1 (0.53) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5779339 0.71 ALDH1A3 (0.47) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17422299 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AHTTL3MBTL1
SCHEMBL23777678 0.70 AKR1C3 (0.66) ALDH1A1KMT2AMEN1AKR1C3
SCHEMBL17479168 0.69 ALDH1A3 (0.63) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT

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 ALDH1A3 3528/4885ALDH3A1 1650/4885ALDH1A1 1541/4885

“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.