SCHEMBL9106295

SCHEMBL9106295

COC(=O)c1ccc2nc(Cl)cc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.51
ALDH1A1 P00352 6/20 0.47
HTT P42858 4/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
TNF P01375 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NOD1 Q9Y239 2/20 0.47
NOD2 Q9HC29 1/20 0.47
KDM4E B2RXH2 3/20 0.45
TP53 P04637 2/20 0.43
NR2F2 P24468 1/20 0.42
KLF5 Q13887 1/20 0.42
ALOX15 P16050 1/20 0.40
CSNK2A1 P68400 2/20 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
SCHEMBL9907550 0.87 HTR5A (0.67) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL12874477 0.86 HTR5A (0.46) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL9909164 0.84 HTR5A (0.49) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL29374146 0.83 KDM4E (0.52) ALDH1A1HTTGAAMAPTLMNA
SCHEMBL9103449 0.83 HTR5A (0.48) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL9907321 0.83 HTR5A (0.48) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL9107247 0.81 HTT (0.48) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL9907543 0.80 HTR5A (0.46) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL9907347 0.78 TGFBR1 (0.46) HTR5AALDH1A1HTTGAAMAPT
SCHEMBL14690434 0.78 KDM4E (0.55) ALDH1A1HTTGAAMAPTLMNA

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 8 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-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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 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
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 1/4885ALDH1A1 1799/4885HTT 970/4885

“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.