SCHEMBL4568181

SCHEMBL4568181

COC(=O)c1cccc(Cc2c(-c3ccccc3F)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
GRM2 Q14416 1/20 0.39
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL4568214 0.92 DYRK3 (0.43) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL4568174 0.90 MTNR1A (0.43) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL15998652 0.89 MTNR1A (0.40) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL4568184 0.89 MTNR1A (0.42) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL4568421 0.89 KDM4E (0.46) KDM4EMAPTMTNR1AMTNR1BADORA2A
SCHEMBL4568426 0.87 KDM4E (0.45) KDM4EMAPTMTNR1AMTNR1BADORA2A
SCHEMBL3706006 0.87 MTNR1A (0.48) KDM4EMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL4568179 0.86 CYP19A1 (0.50) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL4568515 0.85 TUBB4A (0.40) MTNR1AMTNR1BADORA2APLA2G2ATUBB4A
SCHEMBL4568422 0.85 KDM4E (0.43) KDM4EMAPTMTNR1AMTNR1BADORA2A

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 KDM4E 3521/4885MAPT 3199/4885MTNR1A 19/4885

“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.