SCHEMBL4536310

SCHEMBL4536310

O=C(O)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.62
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TAAR1 Q96RJ0 1/20 0.54
MAPT P10636 1/20 0.54
TACR1 P25103 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
TRPV1 Q8NER1 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
MLYCD O95822 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL19403914 0.89 CNR1 (0.71) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL19409777 0.88 CNR1 (0.60) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL30152386 0.88 CNR1 (0.60) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL27032967 0.88 CNR1 (0.50) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL17689393 0.86 CNR1 (0.61) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL11749179 0.86 CNR1 (0.61) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL3886323 0.86 CNR1 (0.61) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL29963823 0.86 CNR1 (0.61) CNR1MEN1KMT2AKDM4ETAAR1
SCHEMBL3233030 0.85 NAMPT (0.64) CNR1MEN1KMT2AHDAC1HDAC8
SCHEMBL20792281 0.85 CNR1 (0.60) CNR1MEN1KMT2AKDM4ETAAR1

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-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
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO 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 CNR1 160/4885MEN1 3481/4885KMT2A 1651/4885

“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.