SCHEMBL9907679

SCHEMBL9907679

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(C)cc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.44
TDP1 Q9NUW8 2/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
TP53 P04637 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAP2K4 P45985 1/20 0.38
SCN9A Q15858 1/20 0.38
HPGD P15428 2/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9907759 0.90 HTR5A (0.54) HTR5ATDP1CSNK2A1MAPTCYP46A1
SCHEMBL9907730 0.89 MAP2K4 (0.46) HTR5ACSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL9907683 0.87 HTR5A (0.56) HTR5ACSNK2A1MAPTLMNAALDH1A1
SCHEMBL9909276 0.87 HTR5A (0.43) HTR5ATDP1CSNK2A1MAPTCYP1A2
SCHEMBL9907685 0.86 HTR5A (0.47) HTR5AMAPTALDH1A1MAP2K4HPGD
SCHEMBL9907661 0.85 HTR5A (0.52) HTR5ACSNK2A1MAPTLMNAALDH1A1
SCHEMBL9907697 0.85 MAP2K4 (0.45) HTR5ACSNK2A1MAPTALDH1A1CSNK2A2
SCHEMBL9907669 0.83 CSNK2A2 (0.47) HTR5ACSNK2A1ALDH1A1CSNK2A2CSNK2B
SCHEMBL9907758 0.83 HTR5A (0.43) HTR5ATDP1CSNK2A1MAPTALDH1A1
SCHEMBL9907675 0.83 HTR5A (0.54) HTR5ACSNK2A1MAPTLMNAMAP2K4

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-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

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 1/4885TDP1 964/4885CSNK2A1 4309/4885

“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.