SCHEMBL9908002

SCHEMBL9908002

Cc1c(Cl)cccc1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.45
SLC22A12 Q96S37 5/20 0.45
PLAU P00749 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PLG P00747 1/20 0.41
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.39
TTR P02766 2/20 0.39
PPARG P37231 1/20 0.39
RORC P51449 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 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
SCHEMBL9908019 0.89 HTR5A (0.53) HTR5ASLC22A12PLAUPLGRORC
SCHEMBL9907728 0.87 HTR5A (0.46) HTR5ASLC22A12PLAUMRGPRX4PLG
SCHEMBL9907662 0.87 HTR5A (0.56) HTR5ASLC22A12PLAUPLGKMT2A
SCHEMBL9907989 0.87 TP53 (0.49) HTR5A
SCHEMBL9907991 0.86 HTR5A (0.46) HTR5ASLC22A12PLAUPLGMAP4K4
SCHEMBL9907768 0.86 CSNK2A2 (0.52) HTR5ASLC22A12PLAUPLGMAP4K4
SCHEMBL9907756 0.85 HTR5A (0.50) HTR5ASLC22A12PLAUMRGPRX4PLG
SCHEMBL9908016 0.84 HTR5A (0.47) HTR5ASLC22A12PLAUMRGPRX4PLG
SCHEMBL9909281 0.84 PLAU (0.46) HTR5ASLC22A12PLAUPLGMAP4K4
SCHEMBL9907770 0.82 HTR5A (0.55) HTR5ASLC22A12PLAUMRGPRX4PLG

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 2 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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 1/4885SLC22A12 1751/4885PLAU 3322/4885

“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.