SCHEMBL10064019

SCHEMBL10064019

N#Cc1ccc2ccc(C(=O)O)cc2c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
XDH P47989 2/20 0.44
NR3C2 P08235 4/20 0.42
ADORA1 P30542 1/20 0.41
NR4A2 P43354 1/20 0.41
PGR P06401 1/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
KDM1A O60341 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
ESR1 P03372 1/20 0.39
CNR2 P34972 1/20 0.39
TTR P02766 1/20 0.39
MAP4K4 O95819 1/20 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
SCHEMBL10063771 0.87 SLC22A12 (0.44) SLC22A12ADORA1
SCHEMBL10064208 0.85 HPGD (0.43)
SCHEMBL10064017 0.84 SLC22A12 (0.39) SLC22A12NR3C2KDM1AESR1CNR2
SCHEMBL10064307 0.83 SLC22A12 (0.39) SLC22A12NR3C2ESR1TTR
SCHEMBL10064301 0.83 HTR5A (0.43)
SCHEMBL617022 0.81 TTR (0.45) SLC22A12KDM1ACNR2TTR
SCHEMBL10063756 0.79 SLC22A12 (0.48) SLC22A12NR3C2KDM1ACSNK2A2CSNK2B
SCHEMBL10063691 0.79 CSNK2A2 (0.41) SLC22A12GRIA2GRIA4CSNK2A2CSNK2B
SCHEMBL16502450 0.79 BCL2L1 (0.50) BCL2L1BADNR4A2CSNK2A2CSNK2B
SCHEMBL16502443 0.78 SLC22A12 (0.56) SLC22A12XDHNR3C2GRIA2GRIA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A BCL2L1 1044/4885BAD 109/4885SLC22A12 1219/4885

“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.