SCHEMBL4522949

SCHEMBL4522949

O=C(O)N(CCCSCCO)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
EPHX1 P07099 3/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.39
S1PR1 P21453 1/20 0.39
GRK5 P34947 1/20 0.39
CDK8 P49336 1/20 0.39
S1PR5 Q9H228 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4514375 0.87 HDAC1 (0.43) KMT2AMEN1HDAC1HDAC8TAAR1
SCHEMBL4726672 0.83 TDP1 (0.46) KMT2AMEN1HDAC1HDAC8KDM4E
SCHEMBL4512792 0.82 TAAR1 (0.43) KMT2AMEN1TAAR1CNR1TP53
Hydrochloric Acid SCHEMBL168053 0.81 TAAR1 (0.55) KMT2AMEN1HDAC1HDAC8TAAR1
SCHEMBL31404219 0.77 TAAR1 (0.61) HDAC1HDAC8TAAR1EPHX1KDM4E
SCHEMBL4528744 0.75 HPGD (0.45) KMT2AMEN1MAPTSIGMAR1TDP1
SCHEMBL4525967 0.75 MEN1 (0.47) KMT2AMEN1HDAC1HDAC8TAAR1
SCHEMBL4519449 0.73 TAAR1 (0.43) KMT2AMEN1TAAR1CNR1TP53
SCHEMBL25337304 0.73 TAAR1 (0.53) KMT2AMEN1HDAC1HDAC8TAAR1
SCHEMBL81305 0.72 TAAR1 (0.62) KMT2AMEN1HDAC1HDAC8TAAR1

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 KMT2A 1651/4885MEN1 3481/4885HDAC1 2635/4885

“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.