SCHEMBL4568110

SCHEMBL4568110

COC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(Cl)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
MCL1 Q07820 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
KIF11 P52732 2/20 0.42
NPC1 O15118 2/20 0.42
MAP2K4 P45985 1/20 0.42
NR4A2 P43354 1/20 0.41

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
SCHEMBL4568118 0.88 RAB9A (0.47) RAB9AMRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL4568120 0.88 RAB9A (0.47) RAB9AMRGPRX4LOXL2MAPTCYP4F2
SCHEMBL4568147 0.88 ENPP2 (0.48) MRGPRX4
SCHEMBL4572091 0.87 LOXL2 (0.47) RAB9AMRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL4568107 0.87 RAB9A (0.46) RAB9AMRGPRX4LOXL2MAPTMEN1
SCHEMBL4568122 0.87 MRGPRX4 (0.47) RAB9AMRGPRX4LOXL2MEN1KMT2A
SCHEMBL4568123 0.85 MRGPRX4 (0.49) RAB9AMRGPRX4LOXL2MEN1KMT2A
SCHEMBL3703830 0.83 TUBB4A (0.60) MRGPRX4KIF11
SCHEMBL4568117 0.79 MRGPRX4 (0.49) RAB9AMRGPRX4MAP2K4NR4A2
SCHEMBL4568113 0.79 ALDH1A1 (0.51) RAB9AMCL1NPC1NR4A2

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 RAB9A 1646/4885MRGPRX4 273/4885MCL1 1970/4885

“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.