SCHEMBL4568480

SCHEMBL4568480

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
PARP1 P09874 1/20 0.39
IDH1 O75874 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GRM4 Q14833 3/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL4568481 0.93 MRGPRX4 (0.40) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL3707630 0.91 MRGPRX4 (0.43) MRGPRX4
SCHEMBL11978666 0.90 MAP2 (0.39) MRGPRX4MTNR1AMTNR1BGRM4CYP1A2
SCHEMBL4568487 0.89 MRGPRX4 (0.45) MRGPRX4PARP1IDH1BCHEACHE
SCHEMBL4568486 0.89 MRGPRX4 (0.40) MRGPRX4PARP1IDH1GRM4BCHE
SCHEMBL15975111 0.87 GRM4 (0.38) IDH1MTNR1AMTNR1BGRM4HDAC6
SCHEMBL15975104 0.87 GRM4 (0.38) MTNR1AMTNR1BGRM4NPC1RAB9A
SCHEMBL4568456 0.86 MRGPRX4 (0.42) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL11979730 0.85 GRM4 (0.36) MTNR1AMTNR1BGRM4
SCHEMBL4568117 0.85 MRGPRX4 (0.49) MRGPRX4PARP1IDH1RAB9A

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 273/4885PARP1 2429/4885IDH1 2864/4885

“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.