SCHEMBL4522760

SCHEMBL4522760

C=CCN(CCc1ccc(CC)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 7/20 0.41
THRA P10827 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4727500 0.87 KMT2A (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5344673 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL4521290 0.86 MAPT (0.56) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL4524284 0.82 L3MBTL1 (0.37) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL16107476 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPT
SCHEMBL31516973 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1THRBTHRAMEN1
SCHEMBL4529675 0.75 TAAR1 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AOPRM1
SCHEMBL16107394 0.75 PKM (0.44) SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL22454599 0.74 TDP1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL3840012 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C SMN1; SMN2 3368/4885ALDH1A1 243/4885THRB 67/4885

“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.