SCHEMBL9908029

SCHEMBL9908029

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.57
PTGES O14684 2/20 0.42
SLC22A12 Q96S37 3/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RORC P51449 3/20 0.38
TTR P02766 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9907684 0.92 HTR5A (0.53) HTR5ASLC22A12TTRSMN1; SMN2ALDH1A1
SCHEMBL9908028 0.88 HTR5A (0.54) HTR5APTGESTP53MAPTRORC
SCHEMBL9907663 0.87 HTR5A (0.65) HTR5APTGESSLC22A12RORCTTR
SCHEMBL9907522 0.87 HTR5A (0.72) HTR5APTGESRORCTTR
SCHEMBL9907757 0.86 HTR5A (0.61) HTR5APTGESSLC22A12RORCTTR
SCHEMBL9908050 0.86 HTR5A (0.80) HTR5A
SCHEMBL9908013 0.82 HTR5A (0.53) HTR5ASMN1; SMN2
SCHEMBL9908025 0.82 HTR5A (0.53) HTR5ATTRSMN1; SMN2
SCHEMBL16151830 0.82 HTR5A (0.53) HTR5ARORCTTR
SCHEMBL9907695 0.82 HTR5A (0.65) HTR5APTGESRORCTTR

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 1/4885PTGES 3077/4885SLC22A12 1751/4885

“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.