SCHEMBL9907463

SCHEMBL9907463

COC(=O)c1cc(C)c2nccc(-c3c(Cl)cccc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
TP53 P04637 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
MAPK14 Q16539 4/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
PSMD14 O00487 1/20 0.38
TGFBR1 P36897 1/20 0.38
POLB P06746 1/20 0.38
DYRK1A Q13627 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL9907420 0.92 MAPK14 (0.44) NR1H2NR1H3ALDH1A1PTGDR2TP53
SCHEMBL9907445 0.88 NR1H2 (0.41) NR1H2NR1H3ALDH1A1PTGDR2TP53
SCHEMBL9907464 0.86 PTGDR2 (0.46) PTGDR2TP53NR1H4CYP2C9PTGS1
SCHEMBL9907417 0.86 PTGDR2 (0.42) NR1H2NR1H3ALDH1A1PTGDR2MAPK14
SCHEMBL9907483 0.83 MAPK14 (0.37) NR1H2NR1H3ALDH1A1PTGDR2MAPK14
SCHEMBL9907455 0.82 ALPL (0.44) POLBACLY
SCHEMBL9907493 0.82 CYP46A1 (0.39) NR1H2NR1H3ALDH1A1PTGDR2CYP2C9
SCHEMBL9907465 0.82 PDK2 (0.39) NR1H2NR1H3ALDH1A1PTGDR2MAPK14
SCHEMBL9907468 0.81 PTGDR2 (0.39) ALDH1A1PTGDR2MAPK14CYP2C9PTGS1
SCHEMBL9907509 0.81 MRGPRX4 (0.40) MAPK14CYP2C9CYP2C19KDM4EKDM6B

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 NR1H2 705/4885NR1H3 911/4885ALDH1A1 1799/4885

“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.