SCHEMBL5872597

SCHEMBL5872597

O=[N+]([O-])c1cc(F)c(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HSD17B10 Q99714 2/20 0.50
GPR35 Q9HC97 2/20 0.48
TSHR P16473 3/20 0.48
CYP19A1 P11511 1/20 0.43
HIF1A Q16665 2/20 0.42
PDE7A Q13946 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8643676 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL635165 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL29739404 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL717613 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL29036560 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL1424440 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL6383570 0.80 GPR35 (0.65) ALDH1A1HSD17B10GPR35HIF1AKMT2A
SCHEMBL14744561 0.80 ALDH1A1 (0.74) ALDH1A1HSD17B10GPR35CYP19A1HIF1A
SCHEMBL29739338 0.80 ALDH1A1 (0.55) ALDH1A1HSD17B10GPR35TSHRCYP19A1
SCHEMBL28291579 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10GPR35TSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919921-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2024-03-05 US disclosed
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-09-15 US disclosed
US-11377464-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2022-07-05 US disclosed
CN-113621005-A alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-11-09 CN disclosed
CN-107406478-B alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-07-27 CN disclosed
EP-3828191-A2 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2021-06-02 EP disclosed
EP-3250581-B1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-20 EP disclosed
US-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2020-12-31 US disclosed
US-10774102-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2020-09-15 US disclosed
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2017-12-07 US disclosed
WO-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 WO disclosed
US-7098338-B2 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2006-08-29 US disclosed
US-20040116437-A1 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2004-06-17 US disclosed
US-6706714-B2 USEFUL FOR THE TREATMENT OF DISORDERS INVOLVING THE CENTRAL NERVOUS SYSTEM SUCH AS OBSESSIVE-COMPULSIVE DISORDER, DEPRESSION, ANXIETY, SCHIZOPHERNIA, MIGRAINE, SLEEP OR EATING DISORDER, OBESITY, TYPE II DIABETES AND EPILEPSY WYETH CORP (US) 2004-03-16 US disclosed
US-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives WYETH (US) 2003-03-27 US disclosed
US-6476032-B2 5HT2C RECEPTOR AGONISTS TO TREAT SCHIZOPHRENIA AND CENTRAL NERVOUS SYSTEM DISORDERS; OBSESSIVE-COMPULSIVE DISORDER; ANTIDEPRESSANTS, MIGRAINE; SLEEP DISORDERS; EATING DISORDERS; OBESITY; ANTIDIABETIC, -EPILEPTIC AND ANXIOLYTIC AGENTS WYETH 2002-11-05 US disclosed
US-6372745-B1 TREATMENT OF OBESITY IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION 2002-04-16 US disclosed
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
EP-1140940-A1 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QINOXALIN-5(6H)ONE DERIVATES BEING 5HT2C AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035922-A1 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)ONE DERIVATES BEING 5HT2C AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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 (8 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-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 ALDH1A1 1785/4885HSD17B10 3212/4885GPR35 986/4885
US-11377464-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885HSD17B10 3578/4885GPR35 1058/4885
US-11919921-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885HSD17B10 3578/4885GPR35 1058/4885
US-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives NPY2R, HCRTR2, HTR2C ALDH1A1 1969/4885HSD17B10 1873/4885GPR35 211/4885
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 ALDH1A1 1785/4885HSD17B10 3212/4885GPR35 986/4885
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives HTR2C, HTR3C, NPY2R ALDH1A1 2135/4885HSD17B10 1944/4885GPR35 225/4885
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS3, LGALS1, LGALS2 ALDH1A1 1252/4885HSD17B10 3659/4885GPR35 1471/4885
US-10774102-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885HSD17B10 3578/4885GPR35 1058/4885

“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.