SCHEMBL9907337

SCHEMBL9907337

Cc1cc(-c2c(F)cccc2Cl)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.51
PTGES O14684 2/20 0.47
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TTR P02766 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EIF4E P06730 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
PTGFR P43088 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
SCHEMBL9907527 0.91 HTR5A (0.59) HTR5ATP53ALDH1A1POLBHPGD
SCHEMBL15500533 0.87 HTR5A (0.45) HTR5APTGESTP53ALDH1A1POLB
SCHEMBL9907336 0.87 ALDH1A1 (0.50) HTR5ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL9907789 0.86 HTR5A (0.72) HTR5APTGES
SCHEMBL9907645 0.86 HTR5A (0.62) HTR5ATP53ALDH1A1POLBHPGD
SCHEMBL9907652 0.85 HTR5A (0.61) HTR5ATP53ALDH1A1POLBHPGD
SCHEMBL9907562 0.84 PTGES (0.43) HTR5APTGESALDH1A1HPGDTTR
SCHEMBL9907344 0.82 HTR5A (0.43) HTR5APTGESTTRCSNK2A2CSNK2B
SCHEMBL12874630 0.82 HTR5A (0.55) HTR5APTGESTP53
SCHEMBL15500532 0.82 HTR5A (0.41) HTR5APTGESTP53ALDH1A1L3MBTL1

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 1/4885PTGES 3077/4885TP53 3013/4885

“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.