SCHEMBL4568461

SCHEMBL4568461

COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)c(C)cc23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
PARP1 P09874 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 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
SCHEMBL4568462 0.91 MRGPRX4 (0.44) MRGPRX4PARP1NR1H2NR1H3CNR1
SCHEMBL4568566 0.91 MRGPRX4 (0.40) MRGPRX4
SCHEMBL4568463 0.90 MRGPRX4 (0.47) MRGPRX4PARP1NR1H2NR1H3CNR1
SCHEMBL4568485 0.88 KDM4E (0.41) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL3711836 0.86 MRGPRX4 (0.44) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL4568472 0.86 MRGPRX4 (0.44) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL4568469 0.86 PARP1 (0.42) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL4568451 0.84 PDE10A (0.46) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL4568525 0.84 MRGPRX4 (0.44) MRGPRX4PARP1KDM4EALDH1A1HPGD
SCHEMBL4568489 0.83 PDK2 (0.41) MRGPRX4PARP1KDM4EALDH1A1HPGD

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 2429/4885NR1H2 522/4885

“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.