SCHEMBL287491

SCHEMBL287491

O=C(O)c1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
DAO P14920 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
XPO1 O14980 3/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
P2RX7 Q99572 1/20 0.36
CLCN2 P51788 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ASPH Q12797 1/20 0.35

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
SCHEMBL20303763 0.84 XPO1 (0.39) KMOALDH1A1KMT2AMEN1XPO1
SCHEMBL11832350 0.82 HPGD (0.50) KMOALDH1A1HPGDKMT2AMEN1
SCHEMBL19584143 0.81 CCR9 (0.39) ALDH1A1DAOKMT2AMEN1KDM4E
SCHEMBL16648695 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1XPO1KCNQ3
SCHEMBL16648685 0.80 NOTUM (0.45) ALDH1A1KMT2AXPO1KDM4ENOTUM
SCHEMBL18149694 0.78 SORT1 (0.43) KMOALDH1A1HPGDDAO
SCHEMBL19584011 0.76 HDAC4 (0.52) ALDH1A1HPGDKMT2AMEN1KDM4E
Clopyralid SCHEMBL29371357 0.76 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4ENAPRT
Clopyralid SCHEMBL54779 0.76 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4ENAPRT
Clopyralid SCHEMBL8535196 0.76 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4ENAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US claimed
US-20130096107-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2013-04-18 US claimed
EP-2475658-A1 2 -AMINODIHYDRO [1, 3]THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
CN-102482268-A 2-Aminodihydro [1,3] thiazines as BACE2 inhibitors for the treatment of diabetes HOFFMANN LA ROCHE 2012-05-30 CN claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
WO-2024191268-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 현대약품 주식회사 2024-09-19 WO disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
US-10968232-B2 Antidiabetic spirochroman compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
WO-2011029803-A1 2 -AMINODIHYDRO [1, 3] THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 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 (7 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-20130096107-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R KMO 818/4885ALDH1A1 248/4885HPGD 483/4885
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R KMO 818/4885ALDH1A1 248/4885HPGD 483/4885
US-10968232-B2 Antidiabetic spirochroman compounds GPR119, GPR52, GPR55 KMO 3566/4885ALDH1A1 1981/4885HPGD 1573/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R KMO 433/4885ALDH1A1 725/4885HPGD 2335/4885
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R KMO 818/4885ALDH1A1 248/4885HPGD 483/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B KMO 132/4885ALDH1A1 604/4885HPGD 156/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 KMO 3166/4885ALDH1A1 563/4885HPGD 2099/4885

“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.