SCHEMBL4955045

SCHEMBL4955045

COC(=O)CCCNC(=O)c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.51
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL7900184 0.92 PRSS1 (0.53) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12497737 0.86 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL12516004 0.85 SMN1; SMN2 (0.62) LMNASMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL9576605 0.84 LMNA (0.62) LMNASMN1; SMN2ALDH1A1KDM4ECA1
SCHEMBL6258472 0.82 SMN1; SMN2 (0.79) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL6160025 0.82 MAPK1 (0.60) SMN1; SMN2ALDH1A1KDM4EGAAMEN1
SCHEMBL4955204 0.82 ALDH1A1 (0.58) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2299009 0.82 HPGD (0.59) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3679714 0.82 PRSS1 (0.63) LMNASMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL10630944 0.82 ALDH1A1 (0.57) LMNASMN1; SMN2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475776-C Amino acid diamides in non alpha position useful as adjuvants for the administration of active biological agents ROVI LAB FARMACEUT SA (ES) 2009-04-08 CN disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
EP-1652836-B1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS ROVI LAB FARMACEUT SA (ES) 2007-07-18 EP disclosed
CN-1829682-A Amino acid diamides in non-alpha positions useful as adjuvants for the administration of biologically active agents ROVI LAB FARMACEUT SA (ES) 2006-09-06 CN disclosed
EP-1652836-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2006-05-03 EP 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-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS NOS1, NOS3, ARG1 MAPT 4796/4885LMNA 4563/4885HTT 3557/4885

“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.