SCHEMBL4902547

SCHEMBL4902547

COC(=O)c1ccc(/C=C/c2ccnc3c2ccc2cccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
SLC40A1 Q9NP59 2/20 0.45
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 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
SCHEMBL4902551 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL9525871 0.80 CCR1 (0.50) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL9525875 0.80 CCR1 (0.50) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL9582521 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL9583330 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL9582512 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL12669543 0.75 CCR1 (0.47) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL12669534 0.74 CCR1 (0.49) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL7777939 0.71 KDM4E (0.48) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL7777936 0.71 KDM4E (0.48) ALDH1A1KDM4EL3MBTL1MAPTHPGD

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-9193746-B2 Luminescent metal complexes and associated technology BIOTIUM, INC. (US) 2015-11-24 US disclosed
US-20080145526-A1 Luminescent Metal Complexes and Associated Technology BIOTIUM, INC. 2008-06-19 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-20080145526-A1 Luminescent Metal Complexes and Associated Technology CLTA, CLTB, CACYBP ALDH1A1 3606/4885KDM4E 4255/4885L3MBTL1 562/4885

“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.