SCHEMBL4568426

SCHEMBL4568426

COC(=O)c1cccc(Cc2c(-c3ccc(F)c(F)c3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
CYP19A1 P11511 4/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
ADORA2A P29274 1/20 0.39
JAK2 O60674 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4568424 0.94 KDM4E (0.43) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568422 0.94 KDM4E (0.43) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568193 0.93 KDM4E (0.42) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568421 0.93 KDM4E (0.46) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL3711669 0.92 CYP19A1 (0.42) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568179 0.92 CYP19A1 (0.50) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568192 0.91 KDM4E (0.42) KDM4EMAPTMTNR1AMTNR1BMAPK13
SCHEMBL4568187 0.90 CYP19A1 (0.50) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568186 0.89 MAPK13 (0.51) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568176 0.89 MDM4 (0.41) KDM4EMAPTCYP19A1MTNR1AMTNR1B

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 3199/4885CYP19A1 1262/4885

“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.