SCHEMBL2107034

SCHEMBL2107034

FC(F)(F)c1ccc2nc(S)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.58
DGAT1 O75907 5/20 0.55
KCNH2 Q12809 5/20 0.55
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CBFB Q13951 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.51
SOAT1 P35610 2/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL711944 0.86 NPBWR1 (0.43) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL29213213 0.82 SCN10A (0.61) KCNH2DYRK1ASCN10A
SCHEMBL10694441 0.80 KDM4E (0.65) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL1311258 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL21500616 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL12020707 0.79 MAPT (0.76) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL2711965 0.79 DGAT1 (0.61) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL30672494 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL3589452 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL16134719 0.77 CHEK2 (0.58) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63150286-A None JP disclosed
CN-117843579-A Benzo heterocycle coupled catechol derivative and preparation method and application thereof 暨南大学 2024-04-09 CN disclosed
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 US disclosed
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-10-11 US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
US-4766133-A ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1988-08-23 US disclosed
JP-S63150286-A DIHYDROPYRANO(3,3-B)PYRIDINE DERIVATIVE, PRODUCTION THEREOF AND ANTIULCER AGENT CONTAINING SAID DERIVATIVE ZERIA SHINYAKU KOGYO KK 1988-06-22 JP disclosed
US-4738975-A Pyridine derivatives, and use as anti-ulcer agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4721718-A 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)sulfinyl]-1H-benzimidazoles useful in the treatment and prevention of ulcers G. D. SEARLE & CO. (US) 1988-01-26 US disclosed
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 US disclosed
CN-86104636-A Produce the method for pyridine derivate 1987-01-28 CN disclosed
EP-0208452-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US 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 (6 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-20160168165-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 NPBWR1 3960/4885DGAT1 2747/4885KCNH2 4844/4885
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 NPBWR1 3960/4885DGAT1 2747/4885KCNH2 4844/4885
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 NPBWR1 4869/4885DGAT1 1593/4885KCNH2 3393/4885
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 NPBWR1 3960/4885DGAT1 2747/4885KCNH2 4844/4885
US-10017520-B2 Myc modulators and uses thereof MYC, MYCBP, MYCBP2 NPBWR1 3960/4885DGAT1 2747/4885KCNH2 4844/4885
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A NPBWR1 2992/4885DGAT1 2269/4885KCNH2 2487/4885

“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.