SCHEMBL9907503

SCHEMBL9907503

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.53
MAP2K4 P45985 1/20 0.46
ALPL P05186 1/20 0.45
PARP1 P09874 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TNF P01375 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
KLF5 Q13887 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
SCHEMBL9907752 0.91 HTR5A (0.51) HTR5AMAP2K4ALPLPARP1MAPT
SCHEMBL9909277 0.90 SCN9A (0.50) HTR5AMAP2K4PARP1SCN9A
SCHEMBL9907515 0.90 HTR5A (0.67) HTR5AMAP2K4PARP1MAPTLMNA
SCHEMBL9908023 0.90 HTR5A (0.50) HTR5AMAP2K4ALPLPARP1MAPT
SCHEMBL9907731 0.90 HTR5A (0.67) HTR5AMAP2K4ALPLPARP1MAPT
SCHEMBL9908026 0.89 HTR5A (0.49) HTR5AMAP2K4ALPLPARP1MAPT
SCHEMBL9908000 0.88 HTR5A (0.47) HTR5ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9907514 0.88 HTR5A (0.48) HTR5AMAP2K4SCN9A
SCHEMBL9907636 0.86 HTR5A (0.64) HTR5APARP1MAPTSMN1; SMN2NPC1
SCHEMBL9907703 0.85 MAP2K4 (0.54) HTR5AMAP2K4PARP1MAPTLMNA

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 1/4885MAP2K4 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.