SCHEMBL4568140

SCHEMBL4568140

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PPARG P37231 1/20 0.46
PTPN5 P54829 1/20 0.45
GPR17 Q13304 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
MEP1B Q16820 3/20 0.40
MEP1A Q16819 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4568104 0.91 MTNR1A (0.43) MRGPRX4RAB9ASMN1; SMN2GPR17MTNR1A
SCHEMBL4568148 0.85 MRGPRX4 (0.48) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL4568141 0.83 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL4568146 0.82 MRGPRX4 (0.49) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL3709905 0.81 TUBB4A (0.53) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL4568557 0.80 GPR17 (0.43) MRGPRX4GPR17MTNR1AMTNR1B
SCHEMBL3708589 0.77 TUBB4A (0.52) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL3704405 0.77 TUBB4A (0.52) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL4568106 0.76 MTNR1A (0.47) MRGPRX4RAB9ASMN1; SMN2GPR17MTNR1A
SCHEMBL4568224 0.76 KDM4E (0.53) MRGPRX4TP53PKMNFKB1RAB9A

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 273/4885TP53 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.