SCHEMBL9907661

SCHEMBL9907661

COC(=O)c1ccc2c(Cl)cnc(-c3ccccc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.52
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
DGAT2 Q96PD7 2/20 0.42
CSNK2A1 P68400 1/20 0.42
KIF11 P52732 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 2/20 0.40
IGF1R P08069 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9907727 0.90 HTR5A (0.50) HTR5ATP53MAPTGPBAR1DGAT2
SCHEMBL9907758 0.90 HTR5A (0.43) HTR5ATP53MAPTGPBAR1CSNK2A1
SCHEMBL9907698 0.90 HTR5A (0.43) HTR5ATP53MAPTDGAT2CSNK2A1
SCHEMBL9107174 0.89 HTR5A (0.43) HTR5ATP53MAPTCSNK2A1KIF11
SCHEMBL9907989 0.89 TP53 (0.49) HTR5ATP53MAPTGPBAR1CSNK2A1
SCHEMBL9907637 0.89 HTR5A (0.66) HTR5ATP53MAPTGPBAR1DGAT2
SCHEMBL9907723 0.89 HTR5A (0.49) HTR5ATP53MAPTGPBAR1DGAT2
SCHEMBL9907674 0.89 HTR5A (0.52) HTR5AMAPTCSNK2A1KIF11ALDH1A1
SCHEMBL9907751 0.88 HTR5A (0.47) HTR5ATP53MAPTCSNK2A1ALDH1A1
SCHEMBL9106717 0.88 HTR5A (0.42) HTR5ATP53MAPTCSNK2A1ALDH1A1

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 4 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

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 3013/4885MAPT 342/4885

“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.