SCHEMBL9908028

SCHEMBL9908028

CCc1cnc(-c2c(F)cccc2Cl)c2cc(C(=O)OC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.54
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
PTGES O14684 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK14 Q16539 1/20 0.39
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL9907680 0.92 HTR5A (0.50) HTR5ATP53MAPTALDH1A1
SCHEMBL9907660 0.89 HTR5A (0.60) HTR5ATP53MAPTPTGESNR1H4
SCHEMBL9907516 0.89 HTR5A (0.67) HTR5ATP53MAPTPTGESNR1H4
SCHEMBL9908029 0.88 HTR5A (0.57) HTR5ATP53MAPTPTGESALDH1A1
SCHEMBL9907743 0.87 HTR5A (0.58) HTR5ATP53MAPTPTGESALDH1A1
SCHEMBL9907742 0.86 HTR5A (0.55) HTR5ATP53MAPTPTGESNR1H4
SCHEMBL16151820 0.85 HTR5A (0.49) HTR5ATP53MAPTALDH1A1
SCHEMBL9907740 0.85 HTR5A (0.49) HTR5AALDH1A1NR1H2NR1H3
SCHEMBL9907691 0.85 HTR5A (0.60) HTR5ATP53NR1H4NR1H2NR1H3
SCHEMBL9107488 0.84 HTR5A (0.50) HTR5ATP53MAPTALDH1A1HPGD

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 1/4885TP53 3013/4885MAPT 342/4885

“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.