SCHEMBL7913834

SCHEMBL7913834

N#Cc1c(F)cccc1-c1cccc2ccc(C(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.46
SLC22A12 Q96S37 1/20 0.43
PTPN1 P18031 1/20 0.39
IKBKB O14920 2/20 0.38
MAOA P21397 1/20 0.38
BLVRB P30043 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TTR P02766 1/20 0.38
RORC P51449 2/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2C Q14957 1/20 0.37
SLC16A3 O15427 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL7920115 0.85 NPC1 (0.42) CYP1A2MEN1KMT2A
SCHEMBL16503469 0.84 MRGPRX4 (0.47) PLA2G2DSLC22A12PTPN1IKBKBTTR
SCHEMBL16502442 0.83 PLA2G2D (0.52) PLA2G2DPTPN1MAOABLVRBHDAC6
SCHEMBL7917788 0.83 PLA2G2D (0.52) PLA2G2DPTPN1MAOABLVRBHDAC6
SCHEMBL16494257 0.83 HTR5A (0.48)
SCHEMBL16509448 0.83 PLA2G2D (0.47) PLA2G2DSLC22A12PTPN1RORCCYP1A2
SCHEMBL16502552 0.82 SLC22A12 (0.50) PLA2G2DSLC22A12PTPN1
SCHEMBL7920119 0.82 PLA2G2D (0.44) PLA2G2DSLC22A12PTPN1MAOABLVRB
SCHEMBL16509488 0.81 CA12 (0.42) PLA2G2DSLC22A12TTRMEN1KMT2A
SCHEMBL7921957 0.81 PLA2G2D (0.50) PLA2G2DPTPN1MAOABLVRBHDAC6

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A PLA2G2D 841/4885SLC22A12 1344/4885PTPN1 2674/4885

“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.