SCHEMBL1769832

SCHEMBL1769832

COc1cncc(-c2ccccc2F)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
CYP11B1 P15538 1/20 0.39
DHPS P49366 1/20 0.38
ERN1 O75460 1/20 0.37
HTR7 P34969 1/20 0.37
USP7 Q93009 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
GCGR P47871 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.36
HCRTR1 O43613 1/20 0.35

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
SCHEMBL17091621 0.81 PDCD1 (0.41) CYP11B1ERN1RAB9ANPC1CYP1A2
SCHEMBL17091626 0.81 KCNQ2 (0.43) CYP11B1USP7GCGRL3MBTL1DHODH
SCHEMBL1770006 0.79 GCGR (0.41) USP7TDP1GCGRCYP1A2CYP3A4
SCHEMBL27876160 0.78 ALDH1A1 (0.42) KCNN4CYP11B1DHPSERN1HTR7
SCHEMBL1770149 0.77 KCNN4 (0.38) KCNN4CYP11B1USP7GCGRL3MBTL1
SCHEMBL17091618 0.76 FYN (0.46) DHPSMAPK1HCRTR1HCRTR2
SCHEMBL18277255 0.75 PDE4D (0.40) CYP11B1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL28798946 0.73 SLC22A12 (0.48) KCNN4TDP1RAB9ANPC1CYP1A2
SCHEMBL27876165 0.71 NPC1 (0.41) KCNN4CYP11B1DHPSTDP1RAB9A
SCHEMBL22285911 0.69 CA12 (0.52) KCNN4DHPSERN1HTR7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP claimed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US claimed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US claimed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN claimed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP claimed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO claimed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP 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
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP 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 KCNN4 730/4885CYP11B1 2/4885DHPS 113/4885

“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.