SCHEMBL9907710

SCHEMBL9907710

O=C(O)c1ccc2c(F)cnc(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.52
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSNK2A2 P19784 4/20 0.47
CSNK2B P67870 4/20 0.47
AXL P30530 1/20 0.45
LDHA P00338 1/20 0.44
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 2/20 0.43
IP6K2 Q9UHH9 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP2K4 P45985 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL9907712 0.90 CSNK2A2 (0.52) HTR5ACSNK2A2CSNK2BLDHAMAP2K4
SCHEMBL9907713 0.87 CDH1 (0.51) HTR5ACSNK2A2CSNK2BMAP2K4
SCHEMBL9907639 0.86 HTR5A (0.70) HTR5ACSNK2A2CSNK2BAXL
SCHEMBL9907701 0.85 HTR5A (0.47) HTR5ANPC1RAB9AAXLMAP2K4
SCHEMBL9907523 0.84 HTR5A (0.69) HTR5ACSNK2A2CSNK2BMAP2K4
SCHEMBL9907524 0.84 HTR5A (0.42) HTR5AKDM4ECSNK2A2CSNK2BLDHA
SCHEMBL9909244 0.84 SLC22A12 (0.53) HTR5ACSNK2A2CSNK2BMAP2K4
SCHEMBL9907950 0.83 HTR5A (0.77) HTR5A
SCHEMBL9907640 0.82 HTR5A (0.71) HTR5ACSNK2A2CSNK2B
SCHEMBL9907711 0.82 HTR5A (0.56) HTR5ACSNK2A2CSNK2BAXL

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 1/4885ALDH1A1 1799/4885KDM4E 1474/4885

“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.