SCHEMBL2692933

SCHEMBL2692933

CC(NC(=O)NN)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
SSTR4 P31391 1/20 0.58
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
METAP2 P50579 3/20 0.55
METAP1 P53582 3/20 0.55
HDAC3 O15379 1/20 0.54
CYP2C9 P11712 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TRPV1 Q8NER1 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL24575927 0.90 EPHX2 (0.64) EPHX2SSTR4LMNAGAAHDAC3
SCHEMBL14025088 0.86 EPHX2 (0.60) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL14004671 0.86 EPHX2 (0.60) EPHX2SSTR4LMNAGAAHDAC3
SCHEMBL16480210 0.86 EPHX2 (0.60) EPHX2SSTR4LMNAGAAHDAC3
SCHEMBL5520593 0.84 ALDH1A1 (0.63) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL29825391 0.84 ALDH1A1 (0.63) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL12943904 0.84 ALDH1A1 (0.63) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL12906742 0.84 ALDH1A1 (0.63) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL8518963 0.82 LMNA (0.61) EPHX2SSTR4LMNAGAAMETAP2
SCHEMBL7263715 0.82 LMNA (0.61) EPHX2SSTR4LMNAGAAMETAP2

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 8 patents. 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-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-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-8946284-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2015-02-03 US disclosed
US-20120108617-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. (US) 2012-05-03 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 (5 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 EPHX2 522/4885SSTR4 2294/4885LMNA 2234/4885
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 EPHX2 522/4885SSTR4 2294/4885LMNA 2234/4885
US-20120108617-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB2, ADRB3, ADRB1 EPHX2 523/4885SSTR4 2172/4885LMNA 2490/4885
US-11452712-B2 Methods and compositions involving (S)-bucindolol ADRB3, ADRB2, ADRB1 EPHX2 522/4885SSTR4 2294/4885LMNA 2234/4885
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol ADRB3, ADRB2, ADRB1 EPHX2 522/4885SSTR4 2294/4885LMNA 2234/4885

“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.