SCHEMBL4568564

SCHEMBL4568564

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
PTGER1 P34995 1/20 0.38

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
SCHEMBL4568463 0.90 MRGPRX4 (0.47) MRGPRX4
SCHEMBL4568565 0.89 MRGPRX4 (0.40) MRGPRX4
SCHEMBL4568566 0.89 MRGPRX4 (0.40) MRGPRX4
SCHEMBL4568568 0.85 MAP2 (0.40) PTGER1
SCHEMBL4568207 0.83 MRGPRX4 (0.46) MRGPRX4PTGER1
SCHEMBL3703812 0.83 ENPP2 (0.43) MRGPRX4PTGER1
SCHEMBL3698683 0.83 TUBB4A (0.46) MRGPRX4
SCHEMBL3708494 0.82 TUBB4A (0.50) MRGPRX4PTGER1
SCHEMBL3706720 0.81 TUBB4A (0.46) MRGPRX4
SCHEMBL3706414 0.81 PPARG (0.43)

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 MRGPRX4 273/4885PTGER1 1/4885

“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.