SCHEMBL3170691

SCHEMBL3170691

COc1c(Cl)ccnc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 2/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FYN P06241 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
TYK2 P29597 1/20 0.32
ADRA1A P35348 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL5268510 0.98 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1DYRK1A
SCHEMBL3185755 0.90 DYRK1A (0.35) ALDH1A1KDM4EHSD17B10L3MBTL1DYRK1A
SCHEMBL8710507 0.85 TAS1R3 (0.36) ALDH1A1KDM4EHSD17B10DYRK1ATSHR
SCHEMBL30557385 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10L3MBTL1DYRK1A
SCHEMBL1178052 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10L3MBTL1DYRK1A
SCHEMBL25384445 0.83 LOX (0.41) ALDH1A1KDM4EHSD17B10DYRK1ATSHR
SCHEMBL7104913 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10DYRK1ATSHR
SCHEMBL8840465 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10DYRK1ATSHR
SCHEMBL29682049 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10DYRK1ATSHR
Hydrochloric Acid SCHEMBL3180076 0.83 MAOA (0.36) ALDH1A1KDM4EHSD17B10DYRK1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268050-B Isotopically substituted pantoprazole NYCOMED GMBH 2012-11-28 CN disclosed
CN-102134232-B isotopically substituted proton pump inhibitors NYCOMED GMBH 2012-11-21 CN disclosed
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
CN-101268051-B Isotopically substituted proton pump inhibitors NYCOMED GMBH 2011-08-31 CN disclosed
CN-102134232-A Isotopically substituted proton pump inhibitors ALTANA PHARMA AG 2011-07-27 CN disclosed
US-20100022779-A1 Isotopically substituted proton pump inhibitors NYCOMED GMBH (DE) 2010-01-28 US disclosed
US-20100010047-A1 Isotopically substituted proton pump inhibitors TAKEDA GMBH (DE) 2010-01-14 US disclosed
US-7601737-B2 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders NYCOMED GMBH (DE) 2009-10-13 US disclosed
CN-101268051-A Isotopically substituted proton pump inhibitors NYCOMED GMBH (DE) 2008-09-17 CN disclosed
US-20030236411-A1 Benzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-12-25 US disclosed
CN-1216981-A 3-alkoxypyridine-2-carboxamide esters, their preparation and their use in medicine HOECHST AG (DE) 1999-05-19 CN disclosed
EP-0900202-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-10 EP disclosed
WO-1997041103-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
CN-1107144-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1995-08-23 CN disclosed
EP-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0650960-A1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 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 (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-20100022779-A1 Isotopically substituted proton pump inhibitors SLC10A2, ABCB11, SLC10A1 ALDH1A1 556/4885KDM4E 3351/4885HSD17B10 461/4885
US-20100010047-A1 Isotopically substituted proton pump inhibitors SLC10A2, ABCB11, SLC10A1 ALDH1A1 556/4885KDM4E 3351/4885HSD17B10 461/4885
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY SLC10A2, KCNN3, KCNN2 ALDH1A1 3057/4885KDM4E 2899/4885HSD17B10 1930/4885
US-20030236411-A1 Benzimidazole derivatives CYP2E1, CYP1A1, CYP1B1 ALDH1A1 43/4885KDM4E 2010/4885HSD17B10 138/4885

“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.