SCHEMBL9907779

SCHEMBL9907779

O=C(O)c1ccc2c(C(F)F)cnc(-c3ccccc3F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.55
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
PTGER1 P34995 1/20 0.39
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TTR P02766 1/20 0.39
PTGFR P43088 1/20 0.39
DHODH Q02127 1/20 0.39
PTPRC P08575 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
AXL P30530 1/20 0.38
RORC P51449 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL9907639 0.87 HTR5A (0.70) HTR5ACSNK2A2CSNK2BPTGER1MAOA
SCHEMBL9907717 0.86 HTR5A (0.71) HTR5ACSNK2A2CSNK2BTTR
SCHEMBL9907777 0.86 HTR5A (0.51) HTR5ACSNK2A2CSNK2BHTTRAB9A
SCHEMBL9907975 0.84 HTR5A (0.80) HTR5A
SCHEMBL9907737 0.84 HTR5A (0.71) HTR5ACSNK2A2CSNK2BPTGER1MAOA
SCHEMBL9907681 0.84 HTR5A (0.56) HTR5ACSNK2A2CSNK2BPTGER1MAOA
SCHEMBL9907783 0.81 HTR5A (0.54) HTR5ACSNK2A2CSNK2BPTGER1MAOA
SCHEMBL9907782 0.81 HTR5A (0.58) HTR5ACSNK2A2CSNK2B
SCHEMBL9907764 0.77 HTR5A (0.57) HTR5ACSNK2A2CSNK2BMAOABLVRB
SCHEMBL9907640 0.76 HTR5A (0.71) HTR5ACSNK2A2CSNK2BRORCKMT2A

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 1/4885CSNK2A2 4132/4885CSNK2B 4303/4885

“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.