SCHEMBL4889227

SCHEMBL4889227

NCCCCC(NC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MPO P05164 1/20 0.45
GRK2 P25098 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
XBP1 P17861 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TGM2 P21980 1/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
SYK P43405 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL4889214 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1MPOGRK2
SCHEMBL4888941 0.87 CA1 (0.45) SMN1; SMN2TGM2SLC1A3SLC1A2SLC1A1
SCHEMBL4888928 0.87 CA1 (0.45) SMN1; SMN2TGM2SLC1A3SLC1A2SLC1A1
SCHEMBL4889060 0.85 FOLH1 (0.54) GRK2MEN1KMT2ARAB9A
SCHEMBL4889077 0.85 FOLH1 (0.54) GRK2MEN1KMT2ARAB9A
SCHEMBL4889467 0.83 MEN1 (0.46) GRK2MAPK1MEN1KMT2AGAA
SCHEMBL4889478 0.83 MEN1 (0.46) GRK2MAPK1MEN1KMT2AGAA
SCHEMBL4599885 0.83 TGM2 (0.48) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL4599882 0.83 TGM2 (0.48) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL4600219 0.80 MTNR1A (0.47) SMN1; SMN2GRK2LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 SMN1; SMN2 3140/4885TP53 3426/4885ALDH1A1 1732/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH SMN1; SMN2 1943/4885TP53 81/4885ALDH1A1 2546/4885

“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.