SCHEMBL3578462

SCHEMBL3578462

Cc1cccc(OCC(C)N(Nc2ccccc2N)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3566340 0.75 ADRB2 (0.50) KMT2ALMNAADRB2ADRB1SMN1; SMN2
SCHEMBL3578459 0.75 MEN1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL3585196 0.72 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1LMNAADRB2
SCHEMBL3580418 0.70 MEN1 (0.48) MEN1KMT2AADRB2ADRB1SMN1; SMN2
SCHEMBL3576753 0.69 MEN1 (0.46) MEN1KMT2AADRB2ADRB1HPGD
SCHEMBL3585190 0.68 SMN1; SMN2 (0.52) MEN1KMT2AADRB2ADRB1SMN1; SMN2
SCHEMBL3571488 0.68 POLB (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL14157447 0.68 ADRB2 (0.54) KMT2ALMNAADRB2ADRB1SMN1; SMN2
SCHEMBL16095798 0.68 ADRB2 (0.50) KMT2AL3MBTL1LMNAADRB2ADRB1
SCHEMBL16095797 0.68 ADRB2 (0.50) KMT2AL3MBTL1LMNAADRB2ADRB1

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A MEN1 4235/4885KMT2A 648/4885L3MBTL1 4200/4885

“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.