SCHEMBL9908023

SCHEMBL9908023

COC(=O)c1ccc2c(Br)cnc(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.50
MAP2K4 P45985 1/20 0.44
ALPL P05186 1/20 0.43
MAPK14 Q16539 3/20 0.42
PARP1 P09874 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL9907503 0.90 HTR5A (0.53) HTR5AMAP2K4ALPLMAPK14PARP1
SCHEMBL9907722 0.87 HTR5A (0.52) HTR5APARP1MAPTSMN1; SMN2NPC1
SCHEMBL9907731 0.86 HTR5A (0.67) HTR5AMAP2K4ALPLMAPK14PARP1
SCHEMBL9102359 0.86 HTR5A (0.51) HTR5AMAP2K4MAPK14PARP1MAPT
SCHEMBL9907747 0.85 CSNK2A1 (0.42) HTR5APARP1RAB9ANOTUMRORC
SCHEMBL9908026 0.85 HTR5A (0.49) HTR5AMAP2K4ALPLMAPK14PARP1
SCHEMBL9907774 0.81 HTR5A (0.51) HTR5AMAP2K4PARP1NOTUM
SCHEMBL9907625 0.81 HTR5A (0.51) HTR5AMAP2K4SMN1; SMN2NPC1RAB9A
SCHEMBL9907752 0.81 HTR5A (0.51) HTR5AMAP2K4ALPLMAPK14PARP1
SCHEMBL9907515 0.80 HTR5A (0.67) HTR5AMAP2K4MAPK14PARP1MAPT

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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 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

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 1/4885MAP2K4 3941/4885ALPL 3611/4885

“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.