SCHEMBL10347244

SCHEMBL10347244

C=CCOc1ccc2c(c1)C(=NO)c1ccccc1-2

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.88
MAPT P10636 4/20 0.88
MEN1 O00255 3/20 0.88
SMN1; SMN2 Q16637 2/20 0.88
LMNA P02545 1/20 0.88
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 3/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.49
SNCA P37840 1/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
SMARCA2 P51531 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8040109 0.79 KMT2A (0.56) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL7989609 0.77 MEN1 (0.56) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8000480 0.77 MAPT (0.56) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8051518 0.77 KMT2A (0.53) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL10658820 0.75 MEN1 (0.54) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8052438 0.74 KMT2A (0.50) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8051420 0.74 KMT2A (0.50) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8046746 0.73 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8041859 0.73 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8041857 0.73 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA

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-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8222203-B2 Macrocyclic oximyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090180984-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-16 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 (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-20090180984-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, HPN, PRSS1 KMT2A 2340/4885MAPT 4520/4885MEN1 4233/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV KMT2A 2790/4885MAPT 4301/4885MEN1 3944/4885

“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.