SCHEMBL6882829

SCHEMBL6882829

O=C(Nc1ccccc1)c1nnco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.47
HTT P42858 2/20 0.46
CES1 P23141 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PTPN1 P18031 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL9779981 0.72 RAB9A (0.53) RAB9APOLBHTTCES1ALDH1A1
SCHEMBL18415349 0.71 MEN1 (0.51) RAB9APOLBHTTALDH1A1SMN1; SMN2
SCHEMBL18410442 0.70 L3MBTL1 (0.49) RAB9APOLBHTTALDH1A1SMN1; SMN2
SCHEMBL2357551 0.70 TSHR (0.65) RAB9APOLBHTTALDH1A1PTPN1
SCHEMBL17079639 0.69 CSNK2A2 (0.53) RAB9AHTTALDH1A1PTPN1SMN1; SMN2
SCHEMBL18236237 0.69 DGAT1 (0.55) RAB9AHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL5302124 0.68 DGAT1 (0.71) RAB9ASMN1; SMN2TP53NPC1HPGD
SCHEMBL18235551 0.68 POLB (0.46) RAB9APOLBHTTPTPN1SMN1; SMN2
SCHEMBL12922928 0.68 POLB (0.46) RAB9APOLBHTTALDH1A1PTPN1
SCHEMBL18407356 0.68 LMNA (0.46) RAB9APOLBALDH1A1SMN1; SMN2NPC1

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-104031037-A Formanilide compound containing 1,3, 4-oxadiazole structure as well as preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2014-09-10 CN disclosed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 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 (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-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 RAB9A 3946/4885POLB 1474/4885HTT 4260/4885

“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.