SCHEMBL3576418

SCHEMBL3576418

CCOC(=O)Cn1ccccc1=N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIN1 Q13526 1/20 0.43
PIN4 Q9Y237 1/20 0.43

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
Bromide SCHEMBL3576414 0.98 KDM4E (0.50) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL27978196 0.84 CREBBP (0.51) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL2851306 0.82 ALDH1A1 (0.55) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL16867095 0.77 ALDH1A1 (0.48) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL31528647 0.77 FPR2 (0.45) KDM4EALDH1A1LMNAGSK3AGSK3B
Hydrochloric Acid SCHEMBL5450987 0.77 BCHE (0.45) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL2237187 0.77 ALDH1A1 (0.50) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL3719707 0.75 KDM4E (0.53) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL14821764 0.75 POLB (0.46) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL27748042 0.75 KDM4E (0.51) KDM4ETSHRHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370769-B2 TRPC5 inhibitors and methods of using same BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2022-06-28 US disclosed
EP-2757882-B1 IMIDAZOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
EP-3678660-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME Board of Regents of the University of Nebraska (US) 2020-07-15 EP disclosed
US-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2020-07-09 US disclosed
WO-2019051197-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-03-14 WO disclosed
US-9518055-B2 Imidazopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME (US) 2016-12-13 US disclosed
US-9518055-B2 Imidazopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME (US) 2016-12-13 US disclosed
EP-2074121-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP disclosed
EP-2074121-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP disclosed
US-20160031882-A1 IMIDAZOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-04 US disclosed
WO-2013043518-A1 IMIDAZOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
EP-2074121-A1 CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008045688-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-17 WO disclosed
WO-2008045688-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-17 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 (4 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-20100029637-A1 Chymase Inhibitors CMA1, CPA3, SERPINB1 KDM4E 3782/4885TSHR 3397/4885HPGD 1813/4885
US-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME TRPC5, TRPC1, TRPC7 KDM4E 3328/4885TSHR 4514/4885HPGD 2933/4885
US-11370769-B2 TRPC5 inhibitors and methods of using same TRPC5, TRPC1, TRPC7 KDM4E 3328/4885TSHR 4514/4885HPGD 2933/4885
US-20160031882-A1 IMIDAZOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NR3C2, CYP21A2, HSD11B1 KDM4E 1718/4885TSHR 2247/4885HPGD 101/4885

“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.