SCHEMBL9907353

SCHEMBL9907353

O=C(O)c1ccc2nccc(-c3ccc(F)cc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
HTR5A P47898 3/20 0.43
AURKA O14965 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM4A O75164 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PYGL P06737 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KMO O15229 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
PIK3CA P42336 1/20 0.37
CHRNA1 P02708 1/20 0.37
CYP2C8 P10632 1/20 0.37

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
SCHEMBL9907478 0.90 HTR5A (0.41) HTR5AAURKAKDM4CKDM5AKDM5B
SCHEMBL9907342 0.87 SRD5A2 (0.49) KDM4CMAPKAPK2
SCHEMBL9907350 0.85 HTT (0.45) GRM2HTR5AKDM4CMAPK14GSK3A
SCHEMBL9907797 0.83 HTR5A (0.64) GRM2HTR5A
SCHEMBL9907351 0.82 HTR5A (0.42) GRM2HTR5AAURKAKDM4CKDM5A
SCHEMBL9907370 0.82 MAPKAPK2 (0.40) HTR5AKDM4CKDM5AKDM5BKDM4A
SCHEMBL9907352 0.82 KMO (0.51) GRM2HTR5AKDM4CKDM5AKDM5B
SCHEMBL9907371 0.81 KMO (0.53) KDM4CKDM5AKDM5BMAPKAPK2KMO
SCHEMBL9907372 0.81 MAPKAPK2 (0.48) KDM5AKDM5BMAPKAPK2KMOIDO1
SCHEMBL9907428 0.79 MAPK14 (0.43) GRM2HTR5AAURKAKDM4CKDM5A

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 GRM2 109/4885HTR5A 1/4885AURKA 2065/4885

“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.