SCHEMBL9907662

SCHEMBL9907662

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.56
MAP4K4 O95819 1/20 0.48
PLAU P00749 3/20 0.44
CNR1 P21554 1/20 0.44
KMT2A Q03164 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
PTPRC P08575 1/20 0.42
PLG P00747 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
DHODH Q02127 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL9907728 0.89 HTR5A (0.46) HTR5AMAP4K4PLAUPLGNAPRT
SCHEMBL9907768 0.88 CSNK2A2 (0.52) HTR5AMAP4K4PLAUPLGNAPRT
SCHEMBL9907991 0.88 HTR5A (0.46) HTR5AMAP4K4PLAUPLGNAPRT
SCHEMBL9907681 0.88 HTR5A (0.56) HTR5AMAP4K4PLAUPLGCSNK2A2
SCHEMBL9907640 0.88 HTR5A (0.71) HTR5AMAP4K4CNR1KMT2ACSNK2A2
SCHEMBL9907739 0.88 HTR5A (0.53) HTR5AMAP4K4CNR1KMT2AEGLN1
SCHEMBL9907756 0.87 HTR5A (0.50) HTR5AMAP4K4PLAUPLGSLC22A12
SCHEMBL9908002 0.87 HTR5A (0.45) HTR5AMAP4K4PLAUKMT2APLG
SCHEMBL9907716 0.86 PLAU (0.52) HTR5APLAUPLGNAPRTKDM4E
SCHEMBL9907732 0.85 SRD5A2 (0.49) HTR5APLAUCNR1PLGKDM4C

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 6 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
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 1/4885MAP4K4 3525/4885PLAU 3322/4885

“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.