SCHEMBL9907452

SCHEMBL9907452

Cc1cc(C(=O)O)cc2c(-c3cccc(Cl)c3Cl)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
TTR P02766 3/20 0.39
SLC22A12 Q96S37 3/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
DYRK1A Q13627 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KMO O15229 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL9907467 0.88 PTGDR2 (0.39) CTSAPTGDR2TTRCYP2C9PTGS1
SCHEMBL9907464 0.88 PTGDR2 (0.46) PTGDR2TTRSLC22A12CYP2C9PTGS1
SCHEMBL9907445 0.87 NR1H2 (0.41) CTSAPTGDR2CYP2C19DYRK1ACCNT1
SCHEMBL9907828 0.84 HTR5A (0.44) CTSA
SCHEMBL9907422 0.82 PTGDR2 (0.45) PTGDR2TTRCYP2C9PTGS1SLC6A4
SCHEMBL9907459 0.81 KDM4C (0.45) MRGPRX4KDM4CKDM5B
SCHEMBL9907495 0.81 PTGDR2 (0.41) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907512 0.80 KDM4C (0.47) PTGDR2PTGS1MRGPRX4KMOKDM5A
SCHEMBL9907428 0.80 MAPK14 (0.43) KMOKDM5AKDM4CKDM5B
SCHEMBL9907476 0.80 TOP2A (0.40) PTGDR2MRGPRX4CCNT1CDK9KDM5A

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 6 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
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 CTSA 1917/4885PTGDR2 977/4885TTR 3634/4885

“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.