Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806959

SCHEMBL2806959

SCHEMBL2806959

COc1ccc(N(C)c2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 4/20 0.59
▸ F10 P00742 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ PPIB P23284 1/20 0.41
▸ GAA P10253 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
SCHEMBL765812 0.90 BDKRB1 (0.63) BDKRB1F10ALDH1A1RAB9AMEN1
SCHEMBL13128621 0.89 BDKRB1 (0.53) BDKRB1F10ALDH1A1RAB9AMEN1
SCHEMBL185085 0.89 BDKRB1 (0.47) BDKRB1F10ALDH1A1RAB9AMEN1
SCHEMBL2806049 0.89 BDKRB1 (0.62) BDKRB1ALDH1A1CYP3A4SMN1; SMN2HDAC1
SCHEMBL13128626 0.88 BDKRB1 (0.61) BDKRB1F10ALDH1A1RAB9AMEN1
SCHEMBL2810040 0.82 BDKRB1 (0.58) BDKRB1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2805998 0.82 BDKRB1 (0.57) BDKRB1MEN1KMT2ANAMPT
SCHEMBL764432 0.81 BDKRB1 (0.61) BDKRB1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL764458 0.81 BDKRB1 (0.64) BDKRB1F10RAB9AMEN1KMT2A
SCHEMBL14865291 0.81 BDKRB1 (0.51) BDKRB1ALDH1A1L3MBTL1CYP3A4CYP2C9

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 — — EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885F10 24/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885F10 24/4885ALDH1A1 1000/4885

“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.