SCHEMBL4568571

SCHEMBL4568571

O=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KIF11 P52732 2/20 0.39
PIM1 P11309 1/20 0.39
SCN9A Q15858 1/20 0.39
SORT1 Q99523 1/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
PADI4 Q9UM07 1/20 0.38
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPK6 Q16659 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
NPY5R Q15761 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL4568207 0.91 MRGPRX4 (0.46) MRGPRX4KIF11MAPK1MAP2K4MAPK6
SCHEMBL4568493 0.90 MTNR1A (0.41) DGAT1KCNH2MRGPRX4KIF11PIM1
SCHEMBL4568569 0.86 MDM4 (0.42) FNTAFNTBMAP2K4CYP11B1CYP11B2
SCHEMBL4568222 0.86 ENPP2 (0.45) MRGPRX4FNTAFNTB
SCHEMBL3709862 0.84 KDM4E (0.52) CYP11B1CYP11B2
SCHEMBL4568570 0.84 MRGPRX4 (0.42) MRGPRX4MAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL3709676 0.83 KDM4E (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL3706080 0.83 TLR9 (0.42) FNTAFNTB
SCHEMBL4568575 0.82 CYP19A1 (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL4568589 0.82 PTGS1 (0.39) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R DGAT1 875/4885KCNH2 895/4885MRGPRX4 273/4885

“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.