SCHEMBL9907333

SCHEMBL9907333

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.72
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
IP6K1 Q92551 2/20 0.39

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
SCHEMBL9907645 0.91 HTR5A (0.62) HTR5ATDP1ALDH1A1HPGDPOLB
SCHEMBL9907652 0.91 HTR5A (0.61) HTR5ATDP1ALDH1A1HPGDPOLB
SCHEMBL9907527 0.89 HTR5A (0.59) HTR5ATDP1ALDH1A1HPGDPOLB
SCHEMBL9907550 0.87 HTR5A (0.67) HTR5ATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL9907531 0.85 HTR5A (0.55) HTR5ATDP1ALDH1A1HPGDPOLB
SCHEMBL9907332 0.85 HTR5A (0.64) HTR5AALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL9104965 0.84 HTR5A (1.00) HTR5A
SCHEMBL12874626 0.84 HTR5A (0.87) HTR5ANQO2HTTLMNA
SCHEMBL9907541 0.83 HTR5A (0.53) HTR5ATDP1ALDH1A1HPGDPOLB
SCHEMBL9909178 0.82 HTR5A (0.51) HTR5ATDP1IP6K1IP6K3IP6K2

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 1/4885TDP1 964/4885ALDH1A1 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.