SCHEMBL4568207

SCHEMBL4568207

O=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
CNR1 P21554 2/20 0.43
KIF11 P52732 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPK6 Q16659 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
PTGER1 P34995 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MPL P40238 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL4568571 0.91 DGAT1 (0.42) MRGPRX4KIF11MAPK1MAP2K4MAPK6
SCHEMBL4568570 0.89 MRGPRX4 (0.42) MRGPRX4CNR1MAPK1MAP2K4MAPK6
SCHEMBL4568196 0.88 MAPT (0.42) CYP1A2MCL1
SCHEMBL4568206 0.86 TUBB4A (0.43) CNR1MAP2K4
SCHEMBL15975189 0.86 MCL1 (0.52) CNR1MCL1
SCHEMBL11979687 0.86 MCL1 (0.44) CNR1MCL1
SCHEMBL4568212 0.85 KIF11 (0.45) KIF11
SCHEMBL15998649 0.85 KDM4E (0.40) PTGER1
SCHEMBL4568232 0.85 MRGPRX4 (0.41) MRGPRX4CYP1A2CYP2C9CYP2C19MCL1
SCHEMBL3701174 0.84 MDM4 (0.51) CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN claimed
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN 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 273/4885CNR1 4/4885KIF11 3272/4885

“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.