SCHEMBL4568189

SCHEMBL4568189

COC(=O)c1cccc(Cc2c(-c3cnco3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IMPDH2 P12268 6/20 0.38
IMPDH1 P20839 2/20 0.37
PARP1 P09874 1/20 0.36
GPR17 Q13304 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 1/20 0.36
PLA2G2A P14555 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL4568223 0.92 GPR17 (0.41) IMPDH2IMPDH1GPR17DYRK1ADYRK1B
SCHEMBL4568503 0.87 TUBB4A (0.43) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL4568435 0.85 MTNR1A (0.41) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL4568188 0.85 KDM4E (0.40) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL4568192 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL3706006 0.84 MTNR1A (0.48) KDM4EALDH1A1HSD17B10HPGDPLA2G2A
SCHEMBL4568178 0.84 MTNR1A (0.53) KDM4EALDH1A1HSD17B10HPGDROCK2
SCHEMBL4568183 0.83 MEN1 (0.38) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL4568176 0.83 MDM4 (0.41) KDM4EALDH1A1HSD17B10MAPTALOX15
SCHEMBL4568421 0.83 KDM4E (0.46) KDM4EALDH1A1HSD17B10MAPTALOX15

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 3521/4885ALDH1A1 422/4885HSD17B10 1799/4885

“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.