SCHEMBL4568271

SCHEMBL4568271

FC(F)(F)c1ccc2cc(-c3cccnc3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
DGAT1 O75907 2/20 0.60
KCNH2 Q12809 2/20 0.60
NPY5R Q15761 2/20 0.52
KIF11 P52732 2/20 0.47
S1PR1 P21453 1/20 0.45
NPBWR1 P48145 1/20 0.45
NPC1 O15118 1/20 0.45
PIM1 P11309 1/20 0.44
METAP2 P50579 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHUK O15111 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL4884700 0.82 NPC1 (0.58) CYP19A1DGAT1KCNH2KIF11NPBWR1
SCHEMBL1605712 0.81 CYP19A1 (0.68) CYP19A1NPY5RCYP11B1CYP11B2CDK5
SCHEMBL16332961 0.79 TTK (0.52) CYP19A1DGAT1KCNH2NPY5RCDK5
SCHEMBL1605273 0.78 CYP19A1 (0.68) CYP19A1NPY5RNPC1CDK5CDK5R1
SCHEMBL2789205 0.78 CYP19A1 (0.68) CYP19A1NPY5RNPC1CDK5CDK5R1
SCHEMBL29790209 0.77 CYP19A1 (1.00) CYP19A1NPC1CYP11B1CYP11B2CDK5
SCHEMBL2789486 0.77 CYP19A1 (1.00) CYP19A1NPC1CYP11B1CYP11B2CDK5
Hydrochloric Acid SCHEMBL27830550 0.76 CYP19A1 (0.97) CYP19A1NPC1CYP11B1CYP11B2CDK5
SCHEMBL1120933 0.75 CYP19A1 (0.62) CYP19A1NPY5RNPC1CYP11B1CYP11B2
SCHEMBL17548599 0.75 PTGDR2 (0.46) DGAT1KCNH2KIF11NPBWR1NPC1

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 CYP19A1 1262/4885DGAT1 875/4885KCNH2 895/4885

“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.