SCHEMBL4568424

SCHEMBL4568424

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CYP19A1 P11511 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4568426 0.94 KDM4E (0.45) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568536 0.92 CYP19A1 (0.40) MTNR1AMTNR1BCYP19A1MAPK13MAPK12
SCHEMBL4568422 0.91 KDM4E (0.43) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568193 0.91 KDM4E (0.42) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568421 0.90 KDM4E (0.46) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568179 0.89 CYP19A1 (0.50) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568176 0.88 MDM4 (0.41) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568192 0.88 KDM4E (0.42) KDM4EMAPTMTNR1AMTNR1BMAPK13
SCHEMBL4568187 0.88 CYP19A1 (0.50) KDM4EMAPTMTNR1AMTNR1BCYP19A1
SCHEMBL4568175 0.88 PTGS2 (0.42) KDM4EMAPTMTNR1AMTNR1BMAPK13

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.