SCHEMBL4568487

SCHEMBL4568487

COC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(OC)c(C)cc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
PARP1 P09874 1/20 0.41
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
PDE10A Q9Y233 3/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TP53 P04637 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4568482 0.92 PARP1 (0.46) MRGPRX4PARP1MAPTKDM4EGABRA1
SCHEMBL3704395 0.91 MRGPRX4 (0.43) MRGPRX4MAPTKDM4EATMPDE10A
SCHEMBL4568480 0.89 MRGPRX4 (0.42) MRGPRX4PARP1GABRA1GABRA5GABRA3
SCHEMBL4568486 0.89 MRGPRX4 (0.40) MRGPRX4PARP1MAPTKDM4EGABRA1
SCHEMBL4568597 0.85 MRGPRX4 (0.45) MRGPRX4PARP1MAPTKDM4EATM
SCHEMBL4568099 0.85 MAPT (0.43) MRGPRX4PARP1MAPTKDM4ETP53
SCHEMBL3711836 0.85 MRGPRX4 (0.44) MRGPRX4PARP1MAPTKDM4EATM
SCHEMBL4568521 0.82 CXCR2 (0.44) MRGPRX4PARP1MAPTKDM4EATM
SCHEMBL4568481 0.82 MRGPRX4 (0.40) MRGPRX4PARP1MAPTKDM4EGABRA1
SCHEMBL4568117 0.82 MRGPRX4 (0.49) MRGPRX4PARP1RAB9AIDH1

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 3 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
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 273/4885PARP1 2429/4885MAPT 3199/4885

“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.