SCHEMBL4014682

SCHEMBL4014682

CC(C)(C)N(Cc1ccc(CNC(=O)n2ccnc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.41
LIPG Q9Y5X9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 4/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL4382438 0.83 MLLT1 (0.58) MLLT1LIPGSMN1; SMN2LMNA
SCHEMBL6255257 0.81 SMN1; SMN2 (0.44) LIPGSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL17093844 0.80 CYP24A1 (0.33) MEN1KMT2AL3MBTL1TBXAS1ALDH1A1
SCHEMBL10048209 0.79 KMT2A (0.50) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL23455649 0.79 SMN1; SMN2 (0.54) LIPGSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL4615564 0.78 NAMPT (0.51) L3MBTL1CYP19A1
SCHEMBL24000994 0.78 NAMPT (0.47) SMN1; SMN2HTTL3MBTL1RAB9AALDH1A1
SCHEMBL19851470 0.77 SMN1; SMN2 (0.40) SMN1; SMN2LMNACYP19A1
SCHEMBL31737685 0.77 CYP11B1 (0.46) SMN1; SMN2LMNACYP19A1
SCHEMBL17094178 0.77 L3MBTL1 (0.36) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1

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-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 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-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C MLLT1 1460/4885LIPG 2986/4885SMN1; SMN2 3075/4885

“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.