SCHEMBL4568482

SCHEMBL4568482

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 3/20 0.38
CYP1A2 P05177 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
IDH1 O75874 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36

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
SCHEMBL4568487 0.92 MRGPRX4 (0.45) PARP1MRGPRX4RAB9ACYP1A2TP53
SCHEMBL4568099 0.88 MAPT (0.43) PARP1MRGPRX4RAB9ACYP1A2TP53
SCHEMBL4568591 0.88 ENPP2 (0.42) MRGPRX4
SCHEMBL4568117 0.85 MRGPRX4 (0.49) PARP1MRGPRX4RAB9AIDH1
SCHEMBL4568119 0.85 PARP1 (0.42) PARP1MRGPRX4RAB9ACYP1A2TP53
SCHEMBL4568480 0.85 MRGPRX4 (0.42) PARP1MRGPRX4RAB9ACYP1A2TP53
SCHEMBL4568486 0.85 MRGPRX4 (0.40) PARP1MRGPRX4TP53MAPTKDM4E
SCHEMBL4568491 0.83 PRMT5 (0.40) PARP1MRGPRX4RAB9AKDM4EALDH1A1
SCHEMBL3704395 0.82 MRGPRX4 (0.43) MRGPRX4MAPTKDM4E
SCHEMBL4568488 0.82 PARP1 (0.40) PARP1MRGPRX4RAB9AIDH1

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 PARP1 2429/4885MRGPRX4 273/4885RAB9A 1646/4885

“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.