SCHEMBL4568422

SCHEMBL4568422

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CYP19A1 P11511 4/20 0.40
PDE10A Q9Y233 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39
TUBA1A Q71U36 3/20 0.39
TUBA1C Q9BQE3 3/20 0.39
TUBB6 Q9BUF5 3/20 0.39
TUBB2B Q9BVA1 3/20 0.39

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
SCHEMBL4568426 0.94 KDM4E (0.45) KDM4EMAPTCYP19A1PDE10AMTNR1A
SCHEMBL4568538 0.92 TUBB4A (0.41) CYP19A1PDE10ATUBB4ATUBBTUBA3C
SCHEMBL4568424 0.91 KDM4E (0.43) KDM4EMAPTCYP19A1PDE10AMTNR1A
SCHEMBL4568193 0.91 KDM4E (0.42) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568421 0.90 KDM4E (0.46) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568179 0.89 CYP19A1 (0.50) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568192 0.88 KDM4E (0.42) KDM4EMAPTMTNR1AMTNR1BTUBB4A
SCHEMBL4568187 0.88 CYP19A1 (0.50) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568186 0.87 MAPK13 (0.51) KDM4EMAPTCYP19A1MTNR1AMTNR1B
SCHEMBL4568176 0.87 MDM4 (0.41) KDM4EMAPTCYP19A1PDE10AMTNR1A

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.