SCHEMBL288299

SCHEMBL288299

[CH2]c1cccc2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
HDAC4 P56524 1/20 0.37
DAO P14920 1/20 0.35
PIM1 P11309 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP19A1 P11511 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
SCHEMBL276295 0.71 CYP2A6 (0.55) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL1866237 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL3799554 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL14022908 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL911242 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL2011067 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL389275 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL594318 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL156699 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2
SCHEMBL5869169 0.71 CYP2A6 (0.50) CYP2A6HDAC4DAOPIM1SLC6A2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP claimed
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
CN-1094044-A Imidazopyridine MERCK PATENT GMBH (DE) 1994-10-26 CN disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
EP-0547514-A2 Imidazopyridine derivatives with angiotensin-II antagonist properties MERCK PATENT GmbH (DE) 1993-06-23 EP 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 (3 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-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CYP2A6 2913/4885HDAC4 1750/4885DAO 463/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 CYP2A6 1634/4885HDAC4 2744/4885DAO 1854/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO CYP2A6 2913/4885HDAC4 1750/4885DAO 463/4885

“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.