SCHEMBL4568161

SCHEMBL4568161

O=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC(F)(F)F)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.51
KIF11 P52732 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK14 Q16539 1/20 0.42
PPARG P37231 1/20 0.42
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40

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
SCHEMBL4568116 0.91 MRGPRX4 (0.52) MRGPRX4KIF11CYP2C9MAPK14MDM4
SCHEMBL3709905 0.87 TUBB4A (0.53) MRGPRX4CYP2C9PPARGMDM4MDM2
SCHEMBL4568135 0.85 MRGPRX4 (0.52) MRGPRX4PPARGMDM4MDM2TUBB4A
SCHEMBL4568159 0.85 MRGPRX4 (0.46) MRGPRX4KIF11PPARGGPR17
SCHEMBL4568132 0.83 MAP2K4 (0.50) MRGPRX4PPARGMDM4MDM2TUBB4A
SCHEMBL4568153 0.82 PPARG (0.51) KIF11PPARGMDM4MDM2TUBB4A
SCHEMBL15998643 0.82 PPARG (0.47) MRGPRX4KIF11PPARGMDM4MDM2
SCHEMBL4568134 0.81 TUBB4A (0.57) MRGPRX4PPARGTUBB4ATUBBTUBA3C
SCHEMBL4568139 0.81 MDM4 (0.58) MRGPRX4CYP2C9PPARGMDM4MDM2
SCHEMBL4572093 0.81 PPARG (0.46) MRGPRX4KIF11PPARGMDM4MDM2

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 273/4885KIF11 3272/4885CYP2C9 2371/4885

“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.