SCHEMBL17814181

SCHEMBL17814181

O=C1NCCc2cc(-c3cncc4c3COCC4O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
PARP10 Q53GL7 10/20 0.45
PARP11 Q9NR21 10/20 0.45
GSK3B P49841 2/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MAPKAPK2 P49137 1/20 0.38
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL17814183 0.92 MAPK1 (0.41) MAPK1PARP10PARP11CYP11B1CYP11B2
SCHEMBL17814186 0.84 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL17814101 0.84 GSK3B (0.45) MAPK1GSK3BCYP11B1CYP11B2MAPKAPK2
SCHEMBL17814179 0.83 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL17814143 0.82 PARP10 (0.42) MAPK1PARP10PARP11GSK3BCYP11B1
SCHEMBL17814093 0.79 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL17814122 0.79 CYP11B1 (0.53) CYP11B1CYP11B2
SCHEMBL21105107 0.78 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL17814176 0.77 PDE3B (0.47) CYP11B1CYP11B2TGFBR1ACVR1
SCHEMBL17814171 0.76 CYP11B1 (0.43) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 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-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 MAPK1 969/4885PARP10 871/4885PARP11 647/4885

“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.