SCHEMBL3438751

SCHEMBL3438751

BrCOCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL5712931 0.86 TDP1 (0.54) IDO1TDP1HTR2AMAOA
SCHEMBL196951 0.86 IDO1 (0.67) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL3438745 0.85 MEN1 (0.59) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9574161 0.85 IDO1 (0.55) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL10390473 0.83 MEN1 (0.57) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL7099472 0.83 IDO1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL20127257 0.82 IDO1 (0.61) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9262777 0.82 IDO1 (0.52) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9257411 0.82 IDO1 (0.52) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9574249 0.82 IDO1 (0.52) IDO1MEN1KMT2AHRH3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US disclosed
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-05-10 US disclosed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 US disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-0099148-A1 Piperazine derivatives, processes for their preparation and pharmaceutical preparations containing them GIST-BROCADES N.V. (NL) 1984-01-25 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 (4 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-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 IDO1 1429/4885MEN1 3125/4885KMT2A 1619/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 IDO1 2032/4885MEN1 2839/4885KMT2A 1697/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C IDO1 1940/4885MEN1 4796/4885KMT2A 2253/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C IDO1 2610/4885MEN1 4776/4885KMT2A 2416/4885

“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.