SCHEMBL9909272

SCHEMBL9909272

COc1cccc(F)c1-c1ncc(F)c2ccc(C(=O)O)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.74
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.45
AURKA O14965 1/20 0.44
GABRA1 P14867 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAP4K1 Q92918 1/20 0.43
CTSA P10619 2/20 0.42
RORC P51449 1/20 0.41
PYGL P06737 1/20 0.41
SCN9A Q15858 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9909291 0.91 HTR5A (0.65) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL12875044 0.90 HTR5A (0.61) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL9909268 0.90 HTR5A (0.61) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL9104780 0.90 HTR5A (0.72) HTR5ARAB9AHSP90AA1AURKAGABRA1
SCHEMBL15500521 0.90 HTR5A (0.72) HTR5AHSP90AA1AURKAGABRA1AURKB
SCHEMBL9907741 0.88 HTR5A (0.58) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL9907523 0.88 HTR5A (0.69) HTR5AMRGPRX4
SCHEMBL9909269 0.85 HTR5A (1.00) HTR5A
SCHEMBL9907638 0.84 HTR5A (0.62) HTR5A
SCHEMBL9102365 0.83 HTR5A (0.60) HTR5A

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 1/4885LMNA 4287/4885MAPK1 3555/4885

“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.