SCHEMBL4568596

SCHEMBL4568596

COC(=O)c1cccc(Cc2c(C(C)C)[nH]c3cc(OC)c(F)cc23)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
ADORA2A P29274 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GRM4 Q14833 1/20 0.35
PTGER1 P34995 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
PLA2G2A P14555 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL3711072 0.91 PTGER1 (0.41) PTGER1
SCHEMBL4568597 0.90 MRGPRX4 (0.45) PARP1ADORA2AMRGPRX4MTNR1AMTNR1B
SCHEMBL4568456 0.89 MRGPRX4 (0.42) PARP1MRGPRX4MTNR1AMTNR1BBCHE
SCHEMBL4568486 0.86 MRGPRX4 (0.40) PARP1ADORA2AMRGPRX4BCHEACHE
SCHEMBL4568442 0.83 MTNR1A (0.45) PARP1MRGPRX4MTNR1AMTNR1B
SCHEMBL4568598 0.81 MRGPRX4 (0.42) MRGPRX4MTNR1AMTNR1BPTGER1
SCHEMBL4568455 0.81 MRGPRX4 (0.40) PARP1MRGPRX4MTNR1AMTNR1BBCHE
SCHEMBL4568513 0.80 PDE10A (0.43) MTNR1AMTNR1B
SCHEMBL3717010 0.80 PTGER1 (0.46) MRGPRX4PTGER1
SCHEMBL3712703 0.77 PTGER1 (0.38) MRGPRX4GRM4PTGER1

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 PARP1 2429/4885ADORA2A 486/4885MRGPRX4 273/4885

“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.