SCHEMBL9907465

SCHEMBL9907465

COC(=O)c1cc(C)c2nccc(-c3cccc(F)c3Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
MAPK14 Q16539 5/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSA P10619 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IL2 P60568 3/20 0.35
DYRK1A Q13627 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
SCHEMBL9907445 0.89 NR1H2 (0.41) PDK2MAPK14GPBAR1CTSAPTGDR2
SCHEMBL9907467 0.88 PTGDR2 (0.39) GPBAR1CTSAPTGDR2DYRK1A
SCHEMBL9907417 0.86 PTGDR2 (0.42) PDK2MAPK14NPC1RAB9APTGDR2
SCHEMBL9907420 0.86 MAPK14 (0.44) MAPK14PTGDR2NR1H2NR1H3ALDH1A1
SCHEMBL9907488 0.83 MAPK14 (0.41) MAPK14CTSAPTGDR2
SCHEMBL9907466 0.82 ALOX15 (0.47) PDK2MAPK14GPBAR1NPC1RAB9A
SCHEMBL9907838 0.82 HTR5A (0.49)
SCHEMBL9907463 0.82 NR1H2 (0.44) PDK2MAPK14PTGDR2NR1H2NR1H3
SCHEMBL9907419 0.81 MAPK14 (0.41) MAPK14GPBAR1
SCHEMBL9907474 0.81 MAPK14 (0.41) MAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PDK2 4717/4885MAPK14 3810/4885GPBAR1 164/4885

“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.