SCHEMBL9907698

SCHEMBL9907698

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
MAP2K4 P45985 1/20 0.38
KIF11 P52732 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
SCHEMBL9907661 0.90 HTR5A (0.52) HTR5ATP53ALDH1A1KMT2ACSNK2A1
SCHEMBL9907690 0.90 HTR5A (0.55) HTR5ATP53ALDH1A1KMT2ASLC6A3
SCHEMBL9907687 0.90 HTR5A (0.51) HTR5ATP53KMT2ACSNK2A1MAPT
SCHEMBL9907989 0.89 TP53 (0.49) HTR5ATP53ALDH1A1CSNK2A1NR1H2
SCHEMBL9107174 0.89 HTR5A (0.43) HTR5ATP53ALDH1A1CSNK2A1NR1H2
SCHEMBL9106717 0.88 HTR5A (0.42) HTR5ATP53ALDH1A1KMT2ACSNK2A1
SCHEMBL9907751 0.88 HTR5A (0.47) HTR5ATP53ALDH1A1CSNK2A1NR1H2
SCHEMBL9907758 0.86 HTR5A (0.43) HTR5ATP53ALDH1A1CSNK2A1NR1H2
SCHEMBL9907699 0.85 HTR5A (0.51) HTR5ATP53KMT2ACSNK2A1MAPT
SCHEMBL9907728 0.85 HTR5A (0.46) HTR5A

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 HTR5A 1/4885TP53 3013/4885ALDH1A1 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.