SCHEMBL4568101

SCHEMBL4568101

CCOc1ccc2c(Cc3cccc(C(=O)OC)c3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
KIF11 P52732 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42

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
SCHEMBL4568135 0.91 MRGPRX4 (0.52) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL3698646 0.91 TUBB4A (0.51) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL4568114 0.88 MDM4 (0.47) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL4568116 0.88 MRGPRX4 (0.52) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL4568103 0.86 MDM4 (0.60) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL3703830 0.85 TUBB4A (0.60) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL4568100 0.85 TUBB4A (0.50) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL10314414 0.85 MDM4 (0.46) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL3709905 0.83 TUBB4A (0.53) MDM4MDM2TUBB4ATUBBTUBA3C
SCHEMBL15998645 0.83 MRGPRX4 (0.48) MDM4MDM2TUBB4ATUBBTUBA3C

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 4 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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 MDM4 4719/4885MDM2 2739/4885TUBB4A 3781/4885

“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.