SCHEMBL13620681

SCHEMBL13620681

CCn1c(-c2nc3ccccc3o2)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 9/20 0.56
HPGD P15428 9/20 0.56
HSD17B10 Q99714 4/20 0.56
TP53 P04637 2/20 0.56
MAPT P10636 6/20 0.52
HTT P42858 3/20 0.52
RCE1 Q9Y256 1/20 0.52
RPS6KA5 O75582 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
GSK3B P49841 1/20 0.52
ROCK1 Q13464 1/20 0.52
MEN1 O00255 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL927859 0.82 HTT (0.44) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL10061948 0.82 TP53 (0.45) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL7037504 0.82 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL230641 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL10061924 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL8094851 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL928694 0.78 HTT (0.40) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12387035 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2687383 0.76 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL231419 0.76 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10TP53

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-20090291107-A1 Chromophore Coated Metal Oxide Particles DSM IP ASSETS B.V. (NL) 2009-11-26 US disclosed
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them DSM IP ASSETS B.V. (NL) 2007-08-16 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 (2 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-20090291107-A1 Chromophore Coated Metal Oxide Particles PPOX, MITF, MC1R ALDH1A1 1116/4885KDM4E 2829/4885HPGD 1710/4885
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them UACA, UROD, UMPS ALDH1A1 3001/4885KDM4E 3121/4885HPGD 1919/4885

“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.