SCHEMBL4568433

SCHEMBL4568433

COC(=O)c1cccc(Cc2c(-c3cncc(F)c3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
CYP19A1 P11511 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
ROCK2 O75116 1/20 0.38
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 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
SCHEMBL3710309 0.92 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568435 0.92 MTNR1A (0.41) CYP19A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL4568179 0.89 CYP19A1 (0.50) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568421 0.88 KDM4E (0.46) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568430 0.88 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568178 0.88 MTNR1A (0.53) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568426 0.87 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568192 0.86 KDM4E (0.42) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL3706006 0.86 MTNR1A (0.48) KDM4EMTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL4568176 0.85 MDM4 (0.41) CYP19A1KDM4EMAPTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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 MAPK13 3349/4885MAPK12 3318/4885MAPK11 1929/4885

“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.