SCHEMBL16502452

SCHEMBL16502452

COC(=O)c1ccc2cccc(-c3cc(C#N)ccc3OC)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MAPT P10636 2/20 0.41
TDP2 O95551 1/20 0.41
P4HB P07237 1/20 0.40
TYMS P04818 1/20 0.40
DUSP3 P51452 1/20 0.39
NQO2 P16083 1/20 0.39
MMP3 P08254 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCN9A Q15858 1/20 0.38
NCEH1 Q6PIU2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL16502433 0.91 PLAU (0.49) PLAUMRGPRX4CYP11B1CYP11B2MAPT
SCHEMBL16502453 0.90 SLC22A12 (0.47) MRGPRX4P4HBMEN1NPC1RAB9A
SCHEMBL16502550 0.86 PLAU (0.47) PLAUMRGPRX4CYP11B1CYP11B2TDP2
SCHEMBL7921881 0.86 ACHE (0.38) PLAUP4HBDUSP3MMP3SCN9A
SCHEMBL16503548 0.84 HTR5A (0.42) PLAUP4HBIRAK4SCN9A
SCHEMBL7917793 0.84 MAPT (0.41) PLAUMAPTNQO2MEN1NPC1
SCHEMBL16494786 0.83 PLAU (0.53) PLAUMRGPRX4CYP11B1CYP11B2MAPT
SCHEMBL7921779 0.82 NR3C1 (0.46) MAPTNQO2MEN1NPC1RAB9A
SCHEMBL16502436 0.81 SLC22A12 (0.47) PLAUMRGPRX4CYP11B1CYP11B2DUSP3
SCHEMBL16502466 0.80 KIF11 (0.43) PLAUMAPTNQO2MEN1NPC1

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A PLAU 2773/4885MRGPRX4 2010/4885CYP11B1 766/4885

“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.