SCHEMBL1743410

SCHEMBL1743410

CC(C)c1nc(-c2ccccn2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.56
▸ KCNN1 Q92952 2/20 0.54
▸ KCNN2 Q9H2S1 2/20 0.54
▸ KCNN3 Q9UGI6 2/20 0.54
▸ MECP2 P51608 1/20 0.54
▸ MBD2 Q9UBB5 1/20 0.54
▸ TLR7 Q9NYK1 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ NFKB2 Q00653 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RELA Q04206 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ PPP1CA P62136 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ TP53 P04637 2/20 0.50

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
SCHEMBL21448899 0.80 TLR7 (0.44) CYP19A1TLR7HTTGRM1
SCHEMBL10272523 0.77 CYP19A1 (0.61) CYP19A1KCNN1KCNN2KCNN3MECP2
SCHEMBL2754043 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL13045666 0.76 CCR1 (0.55) TLR7SMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL13045668 0.76 METAP2 (0.43) TLR7SMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL13045684 0.74 TLR7 (0.41) TLR7SMN1; SMN2KMT2ATDP1MEN1
SCHEMBL31606784 0.74 CYP19A1 (0.62) CYP19A1KCNN1KCNN2KCNN3MECP2
SCHEMBL128834 0.74 CYP19A1 (0.62) CYP19A1KCNN1KCNN2KCNN3MECP2
SCHEMBL29516285 0.74 CYP19A1 (0.62) CYP19A1KCNN1KCNN2KCNN3MECP2
SCHEMBL1741719 0.74 CYP19A1 (0.79) CYP19A1KCNN1KCNN2KCNN3MECP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871944-B2 Thiazole derivative and process for producing same GIFU UNIVERSITY (JP) 2014-10-28 — — US claimed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 — — US disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 — — US disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 — — WO disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 — — US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 — — US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 — — US disclosed
EP-2388253-B1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME UNIV GIFU (JP) 2015-02-11 — — EP disclosed
EP-2388253-B1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME UNIV GIFU (JP) 2015-02-11 — — EP disclosed
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 — — US disclosed
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 — — US disclosed
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 — — US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 — — US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 — — US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 — — US disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 — — 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 (9 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP19A1 3219/4885KCNN1 799/4885KCNN2 1048/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP19A1 3219/4885KCNN1 799/4885KCNN2 1048/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP19A1 3219/4885KCNN1 799/4885KCNN2 1048/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP19A1 3219/4885KCNN1 799/4885KCNN2 1048/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CYP19A1 3649/4885KCNN1 669/4885KCNN2 927/4885
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R CYP19A1 1155/4885KCNN1 1800/4885KCNN2 2641/4885
US-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R CYP19A1 1097/4885KCNN1 2558/4885KCNN2 2728/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP19A1 3219/4885KCNN1 799/4885KCNN2 1048/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R CYP19A1 692/4885KCNN1 2277/4885KCNN2 2952/4885

“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.

Send feedback