SCHEMBL4568440

SCHEMBL4568440

COC(=O)c1cccc(Cc2c(CC(C)C)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
PARP1 P09874 1/20 0.39
GPR17 Q13304 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
JAK2 O60674 1/20 0.38
PTGS2 P35354 1/20 0.37
IDH1 O75874 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4568557 0.91 GPR17 (0.43) ALDH1A1HPGDMTNR1AMTNR1BGPR17
SCHEMBL15975115 0.87 MTNR1A (0.37) KDM4EMAPTGAAMTNR1AMTNR1B
SCHEMBL4568452 0.86 KDM4E (0.41) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL4568442 0.86 MTNR1A (0.45) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL4568454 0.84 MRGPRX4 (0.43) MAPTALDH1A1MTNR1AMTNR1BPARP1
SCHEMBL4568459 0.84 KDM4E (0.40) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL4568192 0.83 KDM4E (0.42) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL4568447 0.83 ALDH1A1 (0.41) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL3706006 0.82 MTNR1A (0.48) KDM4EALDH1A1HSD17B10HPGDMTNR1A
SCHEMBL4568449 0.82 MTNR1A (0.43) KDM4EMAPTALDH1A1ALOX15HSD17B10

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 KDM4E 3521/4885MAPT 3199/4885ALDH1A1 422/4885

“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.