Sugi Predict

Sugi Predict / Compounds / SCHEMBL3145765

SCHEMBL3145765

SCHEMBL3145765

N#Cc1ccccc1OC[C@@H]1CO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ GLA P06280 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL4302248 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL4098812 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527551 0.88 ALDH1A1 (0.49) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527542 0.87 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2KDM4EGAA
SCHEMBL11695226 0.85 ALDH1A1 (0.60) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL22357196 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL679937 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL1155048 0.83 KDM4E (0.49) ALDH1A1GLASMN1; SMN2KDM4ENPC1
SCHEMBL8707600 0.82 ALDH1A1 (0.50) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527607 0.81 SMN1; SMN2 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRTP53

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11452712-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA INC. (US) 2022-09-27 — — US disclosed
US-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. 2018-06-14 — — US disclosed
US-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. 2018-06-14 — — US disclosed
US-9763916-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2017-09-19 — — US disclosed
US-9763916-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2017-09-19 — — US disclosed
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol GENVARA BIOPHARMA, INC. 2017-01-05 — — US disclosed
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol GENVARA BIOPHARMA, INC. 2017-01-05 — — US disclosed
US-9446023-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2016-09-20 — — US disclosed
US-9446023-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2016-09-20 — — US disclosed
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL GENVARA BIOPHARMA, INC. 2015-07-09 — — US disclosed
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 — — US disclosed
US-5153209-A Cardiotonic agents GLAXO INC. (US) 1992-10-06 — — US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 — — US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 — — US disclosed
US-5051431-A For treatment of congestive heart failure GLAXO INC. (US) 1991-09-24 — — US disclosed
EP-0419286-A2 Pyridone nitriles useful in treating cardiovascular disease GLAXO WELLCOME INC. (US) 1991-03-27 — — EP disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 — — EP disclosed
EP-0116825-B1 NEW ARYLOXYPROPANOLAMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC USE Pierrel S.p.A. (IT) 1987-12-16 — — EP disclosed
US-4579861-A Aryloxypropanolamine derivatives, pharmaceutical compositions and adrenegic thereof PIERREL S.P.A. (IT) 1986-04-01 — — US disclosed
EP-0116825-A1 New aryloxypropanolamine derivatives, process for the preparation thereof, pharmaceutical compositions and therapeutic use Pierrel S.p.A. (IT) 1984-08-29 — — 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-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-11452712-B2 Methods and compositions involving (S)-bucindolol ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885

“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.