SCHEMBL9908027

SCHEMBL9908027

CCc1cnc(-c2ccc(F)cc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 6/20 0.52
RORC P51449 3/20 0.42
ADH5 P11766 1/20 0.42
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM4A O75164 1/20 0.41
KMO O15229 2/20 0.40
AXL P30530 1/20 0.39
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPK6 Q16659 1/20 0.38
ALKBH1 Q13686 1/20 0.38
RARB P10826 1/20 0.38
MAP4K4 O95819 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
SCHEMBL9908026 0.87 HTR5A (0.49) HTR5ARORCMAOBMAP2K4
SCHEMBL9907783 0.87 HTR5A (0.54) HTR5ARORCADH5KDM5AKDM4C
SCHEMBL9907507 0.86 HTR5A (0.57) HTR5ARORCADH5KDM5AKDM4C
SCHEMBL9908025 0.85 HTR5A (0.53) HTR5AKDM5AKDM4CKDM5B
SCHEMBL9908051 0.85 HTR5A (0.74) HTR5A
SCHEMBL9907733 0.83 HTR5A (0.72) HTR5ARORCADH5KDM5AKDM4C
SCHEMBL9907684 0.81 HTR5A (0.53) HTR5A
SCHEMBL9908013 0.81 HTR5A (0.53) HTR5AADH5
SCHEMBL9907761 0.78 HTR5A (0.54) HTR5AADH5AXLMAPK1MAP2K4
SCHEMBL9907771 0.78 HTR5A (0.56) HTR5AADH5KDM5AKDM4CKDM5B

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 7 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
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
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 1/4885RORC 3704/4885ADH5 98/4885

“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.