SCHEMBL4568462

SCHEMBL4568462

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
ADORA2A P29274 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CNR1 P21554 1/20 0.37
PDE2A O00408 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 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
SCHEMBL4568461 0.91 MRGPRX4 (0.44) MRGPRX4NR1H2NR1H3CNR1KDM4E
SCHEMBL4568463 0.90 MRGPRX4 (0.47) MRGPRX4NR1H2NR1H3CNR1PDE2A
SCHEMBL4568565 0.90 MRGPRX4 (0.40) MRGPRX4
SCHEMBL4568469 0.88 PARP1 (0.42) MRGPRX4ADORA2AKDM4EALDH1A1MTNR1A
SCHEMBL4568464 0.87 ADORA2A (0.39) MRGPRX4ADORA2AKDM4EALDH1A1MTNR1A
SCHEMBL4568485 0.86 KDM4E (0.41) MRGPRX4ADORA2AKDM4EALDH1A1MTNR1A
SCHEMBL4568513 0.85 PDE10A (0.43) KDM4EALDH1A1MTNR1AMTNR1BCYP1A2
SCHEMBL4568520 0.85 MGAM (0.38) MRGPRX4ADORA2AKDM4EALDH1A1MTNR1A
SCHEMBL4568474 0.84 MTNR1A (0.39) ADORA2APDE2AKDM4EALDH1A1MTNR1A
SCHEMBL3703738 0.84 TUBB4A (0.46) PARP1BRD4MAPT

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 273/4885ADORA2A 486/4885NR1H2 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.