SCHEMBL3417068

SCHEMBL3417068

N#Cc1c(F)ccc2c(C=CC(=O)O)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.50
MIF P14174 1/20 0.39
NFKB1 P19838 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3417060 1.00 TDO2 (0.50) TDO2MIFNFKB1MAPTMEN1
SCHEMBL1420948 0.83 MAPT (0.43) TDO2MAPTMEN1ALDH1A1KMT2A
SCHEMBL1420951 0.83 MAPT (0.43) TDO2MAPTMEN1ALDH1A1KMT2A
SCHEMBL13497612 0.82 PIM1 (0.31) TDO2
SCHEMBL1420256 0.81 TRIM24 (0.44) MAPTALDH1A1KMT2AKDM4E
SCHEMBL1420953 0.78 ALDH1A1 (0.35) MAPTMEN1ALDH1A1KMT2AESR1
SCHEMBL1790272 0.77 MIF (0.49) TDO2MIFNFKB1MAPTALDH1A1
SCHEMBL1790274 0.77 MIF (0.49) TDO2MIFNFKB1MAPTALDH1A1
SCHEMBL3419110 0.76 TDO2 (0.41) TDO2MIFNFKB1MAPTPARP1
SCHEMBL3419116 0.76 TDO2 (0.41) TDO2MIFNFKB1MAPTPARP1

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
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO 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 (2 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TDO2 2228/4885MIF 1161/4885NFKB1 1382/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TDO2 2228/4885MIF 1161/4885NFKB1 1382/4885

“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.