SCHEMBL6920882

SCHEMBL6920882

CCOC(OCC)c1ccncc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
PTGS2 P35354 4/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ERN1 O75460 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL14225112 0.87 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL1874193 0.81 ERN1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL2049051 0.76 LMNA (0.43) CA1CA2ALDH1A1GAABCHE
SCHEMBL2556369 0.75 RPS6KA3 (0.39) ERN1CCNT1CDK9HASPIN
SCHEMBL17895679 0.75 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL1770142 0.75 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL28545086 0.75 AOC3 (0.40) CA12CA1CA2CA9CA14
SCHEMBL15570938 0.71 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL1770155 0.70
SCHEMBL31068616 0.70 CYP2A6 (0.42) ERN1CCNT1CDK9HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993169-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2017-12-20 EP disclosed
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CA12 4153/4885CA1 3654/4885CA2 1127/4885

“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.