SCHEMBL4568489

SCHEMBL4568489

COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(C4CC4)c(C)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
PDK4 Q16654 2/20 0.41
PARP1 P09874 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3707093 0.91 ENPP2 (0.39)
SCHEMBL4568507 0.91 MTNR1A (0.41) PDK2PDK4PARP1MTNR1AMTNR1B
SCHEMBL4568474 0.90 MTNR1A (0.39) PDK2PDK4PARP1MTNR1AMTNR1B
SCHEMBL4568490 0.89 TUBB4A (0.40) PDK2PDK4PARP1MRGPRX4KDM4E
SCHEMBL4568428 0.86 TLR9 (0.41) PARP1MTNR1AMTNR1BMDM4MDM2
SCHEMBL4568472 0.85 MRGPRX4 (0.44) PARP1MTNR1AMTNR1BMRGPRX4KDM4E
SCHEMBL4568485 0.85 KDM4E (0.41) PARP1MTNR1AMTNR1BMRGPRX4MDM4
SCHEMBL3711836 0.85 MRGPRX4 (0.44) PARP1MTNR1AMTNR1BMRGPRX4MDM4
SCHEMBL4568479 0.84 PDK2 (0.38) PDK2PDK4PARP1MAPT
SCHEMBL4568451 0.84 PDE10A (0.46) PARP1MTNR1AMTNR1BMRGPRX4MDM4

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 PDK2 2782/4885PDK4 3269/4885PARP1 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.