SCHEMBL9907445

SCHEMBL9907445

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CTSA P10619 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK14 Q16539 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TP53 P04637 1/20 0.39
PDK2 Q15119 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSMD14 O00487 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
DYRK1A Q13627 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 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
SCHEMBL9907465 0.89 PDK2 (0.39) NR1H2NR1H3CTSAALDH1A1MAPK14
SCHEMBL9907463 0.88 NR1H2 (0.44) NR1H2NR1H3ALDH1A1MAPK14TP53
SCHEMBL9907452 0.87 CTSA (0.42) CTSAPTGDR2DYRK1ACCNT1CDK9
SCHEMBL9907420 0.84 MAPK14 (0.44) NR1H2NR1H3ALDH1A1MAPK14TP53
SCHEMBL9907455 0.83 ALPL (0.44) SLC6A3MAPT
SCHEMBL9907493 0.83 CYP46A1 (0.39) NR1H2NR1H3ALDH1A1KMT2AKDM4E
SCHEMBL9907339 0.81 ALOX15 (0.49) ALDH1A1SLC6A3TP53KMT2AKDM4E
SCHEMBL9907509 0.81 MRGPRX4 (0.40) MAPK14KMT2AKDM4EMAPTGPBAR1
SCHEMBL9907828 0.81 HTR5A (0.44) CTSA
SCHEMBL9907419 0.81 MAPK14 (0.41) MAPK14TP53MAPTGPBAR1CYP1A2

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 7 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 911/4885CTSA 1917/4885

“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.