SCHEMBL4265545

SCHEMBL4265545

CCCCOC(=O)NC(CC(=O)O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.49
FAAH O00519 4/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL5085765 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL14040614 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL844472 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL3663293 0.87 FAAH (0.58) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL2320404 0.87 FAAH (0.59) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL16680706 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL4097623 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL5181827 0.87 KMT2A (0.53) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL5504818 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL2367175 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605165-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2009-10-20 US disclosed
US-7153963-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
US-20050101779-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-05-12 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 (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-20050101779-A1 Phenylalanine derivatives ITGB4, ITGA4, ITGB3 SMN1; SMN2 1611/4885NPC1 1178/4885RAB9A 1056/4885

“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.