SCHEMBL3417898

SCHEMBL3417898

N#Cc1cc(F)cc2c(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
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MIF P14174 1/20 0.36
CAPN1 P07384 1/20 0.33
CAPN2 P17655 1/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
EIF2AK2 P19525 1/20 0.32

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
SCHEMBL3417896 1.00 TDO2 (0.50) TDO2KDM4EHTTMIFCAPN1
SCHEMBL1609509 0.83 MAPT (0.41) TDO2KDM4EMAPTMEN1ALDH1A1
SCHEMBL1609511 0.83 MAPT (0.41) TDO2KDM4EMAPTMEN1ALDH1A1
SCHEMBL13497728 0.82 TDO2 (0.31) TDO2
SCHEMBL1420304 0.81 TRIM24 (0.37) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4369086 0.78 PARP1 (0.46) TDO2KDM4EMAPTNFKB1MEN1
SCHEMBL4369090 0.78 PARP1 (0.46) TDO2KDM4EMAPTNFKB1MEN1
SCHEMBL1420760 0.78 CAPN1 (0.37) CAPN1CAPN2MAPTALDH1A1
SCHEMBL14387313 0.76 TDO2 (0.50) TDO2KDM4EHTTMIFCAPN1
SCHEMBL3416920 0.76 TDO2 (0.57) TDO2MIFCAPN1CAPN2MAPT

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 2228/4885KDM4E 4128/4885HTT 1267/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TDO2 2228/4885KDM4E 4128/4885HTT 1267/4885

“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.