SCHEMBL17456262

SCHEMBL17456262

O=C1OCCc2nc[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ATIC P31939 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GDA Q9Y2T3 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6689752 0.80
SCHEMBL2873901 0.68 TSHR (0.36) ALDH1A1POLBRXFP1TSHRKMT2A
SCHEMBL9076339 0.68 TSHR (0.34) ALDH1A1POLBRXFP1TSHRKMT2A
SCHEMBL8343167 0.67 MAP2K1 (0.43) ALDH1A1POLBRXFP1LMNAKMT2A
SCHEMBL16438130 0.66 ADRA2A (0.38) ALDH1A1MAPT
SCHEMBL17456316 0.66 MEN1 (0.34) ALDH1A1POLBRXFP1KMT2A
SCHEMBL8309980 0.64 MAP2K1 (0.37) ALDH1A1TSHRKMT2AATICGDA
SCHEMBL21305081 0.64 DYRK1A (0.40) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL14603966 0.63 TNKS2 (0.44) ALDH1A1TSHRKMT2A
SCHEMBL8310396 0.63 ATIC (0.33) ATICGDA

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-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-3172212-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-05-31 EP disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 ALDH1A1 250/4885POLB 2490/4885RXFP1 897/4885

“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.