SCHEMBL9907652

SCHEMBL9907652

Cc1cc(-c2c(F)cc(Cl)cc2F)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.61
GRM2 Q14416 1/20 0.48
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
PTGFR P43088 1/20 0.41
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
OPRD1 P41143 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 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
SCHEMBL9907333 0.91 HTR5A (0.72) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907527 0.88 HTR5A (0.59) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907645 0.88 HTR5A (0.62) HTR5AGRM2ALDH1A1POLBHPGD
SCHEMBL9907649 0.86 HTR5A (0.54) HTR5AALDH1A1HPGDL3MBTL1NPC1
SCHEMBL9907337 0.85 HTR5A (0.51) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907908 0.85 HTR5A (0.85) HTR5AGRM2
SCHEMBL9907348 0.80 MAPKAPK2 (0.44) HTR5AGRM2ALDH1A1POLBHPGD
SCHEMBL9907530 0.80 HTR5A (0.50) HTR5AGRM2ALDH1A1TDP1PTGFR
SCHEMBL23858583 0.80 TDP1 (0.53) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL30251698 0.80 TDP1 (0.53) HTR5AALDH1A1POLBHPGDL3MBTL1

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 4 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

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 1/4885GRM2 109/4885ALDH1A1 1799/4885

“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.