SCHEMBL5451198

SCHEMBL5451198

COc1cccc(C)c1-c1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.55
ADRA2B P18089 1/20 0.55
PTGS1 P23219 1/20 0.55
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FGB P02675 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA2A P29274 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TOP1 P11387 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL397261 0.90 ALDH1A1 (0.61) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL3786465 0.89 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL12104260 0.86 TOP1 (0.48) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL9680975 0.85 ALDH1A1 (0.55) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL30832982 0.82 ALDH1A1 (0.52) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL21155323 0.82 ALDH1A1 (0.57) ALDH1A1TDP1RAB9ASMN1; SMN2MAPK1
SCHEMBL13685138 0.81 FGFR1 (0.46) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL6011221 0.81 NR3C1 (0.45) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL1133437 0.80 APP (0.55) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL5461155 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885TDP1 4071/4885ADRA2B 2471/4885

“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.