SCHEMBL10064017

SCHEMBL10064017

N#Cc1ccc2ccc(C(=O)O)cc2c1-c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NR3C2 P08235 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HTR5A P47898 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CNR2 P34972 1/20 0.36
KDM1A O60341 1/20 0.36
SLC16A3 O15427 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL617022 0.89 TTR (0.45) SLC22A12PLA2G2DALDH1A1HPGDMRGPRX4
SCHEMBL10064020 0.87 MRGPRX4 (0.39) SLC22A12PLA2G2DALDH1A1HPGDMRGPRX4
SCHEMBL10063756 0.87 SLC22A12 (0.48) SLC22A12PLA2G2DALDH1A1HPGDNR3C2
SCHEMBL10064307 0.86 SLC22A12 (0.39) SLC22A12PLA2G2DALDH1A1HPGDNR3C2
SCHEMBL10064015 0.85 MAPT (0.41) ALDH1A1HPGDHTR5A
SCHEMBL10064019 0.84 BCL2L1 (0.46) SLC22A12NR3C2ESR1CNR2KDM1A
SCHEMBL614952 0.83 HTR5A (0.55) HTR5A
SCHEMBL10030418 0.82 HTR5A (0.38) SLC22A12ALDH1A1HPGDCSNK2A1HTR5A
SCHEMBL10063691 0.82 CSNK2A2 (0.41) SLC22A12PLA2G2DMRGPRX4CNR2SLC16A3
SCHEMBL16509453 0.81 PLA2G2D (0.42) SLC22A12PLA2G2DMRGPRX4CNR2SLC16A3

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 SLC22A12 1219/4885PLA2G2D 1120/4885ALDH1A1 714/4885

“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.