SCHEMBL4568115

SCHEMBL4568115

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
CNR1 P21554 1/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
LMNA P02545 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43

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
SCHEMBL4568159 0.89 MRGPRX4 (0.46) MRGPRX4CNR1KIF11TMEM97SIGMAR1
SCHEMBL4568116 0.88 MRGPRX4 (0.52) MRGPRX4CNR1NR1H2NR1H3MDM4
SCHEMBL4568100 0.87 TUBB4A (0.50) MRGPRX4CNR1MDM4MDM2TUBB4A
SCHEMBL4568114 0.86 MDM4 (0.47) CNR1MDM4MDM2LMNATUBB4A
SCHEMBL4568103 0.86 MDM4 (0.60) CNR1MDM4MDM2LMNATUBB4A
SCHEMBL3703830 0.85 TUBB4A (0.60) MRGPRX4MDM4MDM2TUBB4ATUBB
SCHEMBL10314414 0.85 MDM4 (0.46) CNR1MDM4MDM2LMNATUBB4A
SCHEMBL3698646 0.85 TUBB4A (0.51) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL4568101 0.83 MDM4 (0.44) MRGPRX4CNR1NR1H2NR1H3MDM4
SCHEMBL15998645 0.83 MRGPRX4 (0.48) MRGPRX4CNR1MDM4MDM2LMNA

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 273/4885CNR1 4/4885NR1H2 522/4885

“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.