SCHEMBL4568448

SCHEMBL4568448

COC(=O)c1cccc(Cc2c(C3CCCC3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
USP2 O75604 3/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
GSK3B P49841 2/20 0.39
GPR17 Q13304 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 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
SCHEMBL4568450 0.99 MTNR1A (0.50) MTNR1AMTNR1BPARP1KDM4EALDH1A1
SCHEMBL4568449 0.96 MTNR1A (0.43) MTNR1AMTNR1BPARP1KDM4EALDH1A1
SCHEMBL4568574 0.91 MTNR1A (0.47) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568577 0.91 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568579 0.87 GPR17 (0.44) MTNR1AMTNR1BGSK3BGPR17PTGS2
SCHEMBL15975102 0.87 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568442 0.82 MTNR1A (0.45) MTNR1AMTNR1BPARP1KDM4EALDH1A1
SCHEMBL4568192 0.81 KDM4E (0.42) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL3706006 0.81 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568191 0.80 KDM4E (0.40) PARP1KDM4EALDH1A1HSD17B10NPSR1

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 MTNR1A 19/4885MTNR1B 14/4885PARP1 2429/4885

“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.