SCHEMBL4568148

SCHEMBL4568148

COc1ccc2c(Cc3cccc(C(=O)O)c3)c(C(C)C)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PPARG P37231 1/20 0.47
PTPN5 P54829 1/20 0.47
GPR17 Q13304 1/20 0.47
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
NR1H4 Q96RI1 1/20 0.43
MEP1B Q16820 2/20 0.41
MEP1A Q16819 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4568141 0.91 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4568106 0.91 MTNR1A (0.47) MRGPRX4SMN1; SMN2RAB9AGPR17MTNR1A
SCHEMBL4568140 0.85 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4568146 0.84 MRGPRX4 (0.49) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3709905 0.83 TUBB4A (0.53) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4568105 0.82 KDM4E (0.42) MRGPRX4SMN1; SMN2RAB9AGPR17MTNR1A
SCHEMBL4568558 0.79 GPR17 (0.45) MRGPRX4GPR17MTNR1AMTNR1BKDM4E
SCHEMBL3704405 0.78 TUBB4A (0.52) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3708589 0.78 TUBB4A (0.52) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4568224 0.77 KDM4E (0.53) MRGPRX4TP53PKMNFKB1NFKB2

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 273/4885TP53 2015/4885PKM 4396/4885

“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.