SCHEMBL9907461

SCHEMBL9907461

O=C(O)c1cc(C(F)(F)F)c2nccc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
KMO O15229 3/20 0.37
RORC P51449 5/20 0.37
TTR P02766 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
NR1H4 Q96RI1 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HTR5A P47898 1/20 0.35
VNN1 O95497 1/20 0.35
SYK P43405 2/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL9907458 0.86 PTGDR2 (0.41) PTGDR2RORCNR1H2NR1H3KDM4C
SCHEMBL9907460 0.86 TTR (0.43) PTGDR2KMORORCTTRKDM4A
SCHEMBL9907835 0.84 HTR5A (0.49) PTGDR2HTR5A
SCHEMBL9907427 0.82 RORC (0.39) PTGDR2KMORORCTTRKDM4A
SCHEMBL9907418 0.82 HTR5A (0.41) PTGDR2KMORORCTTRKDM4A
SCHEMBL16151829 0.81 PTGDR2 (0.39) PTGDR2KMORORCTTRKDM4A
SCHEMBL9907439 0.78 SLC6A2 (0.38) KMONR1H2NR1H3NR1H4KDM4A
SCHEMBL9108194 0.76 HTR5A (0.48) PTGDR2KMOTTRKDM4AKDM5A
SCHEMBL9907486 0.75 PTGDR2 (0.38) PTGDR2RORCTTRKDM4AKDM5A
SCHEMBL9907471 0.75 PTGDR2 (0.43) PTGDR2KMORORCTTRHTR5A

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 4 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
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
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 PTGDR2 977/4885KMO 559/4885RORC 3704/4885

“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.