SCHEMBL3923955

SCHEMBL3923955

CC(=O)Nc1ccc2nc(C)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 1.00
RAB9A P51151 13/20 0.68
NPC1 O15118 10/20 0.68
SMN1; SMN2 Q16637 9/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 4/20 0.67
KDM4E B2RXH2 4/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
PKM P14618 1/20 0.63
TSHR P16473 1/20 0.62
GLA P06280 1/20 0.62

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
SCHEMBL4664159 0.89 LDHA (0.80) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL4011536 0.88 LDHA (0.78) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL15195866 0.86 LDHA (0.76) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL23932785 0.85 LDHA (0.74) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL22894148 0.84 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL13343673 0.84 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL29609444 0.84 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL14907231 0.84 MAPT (0.74) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL5314650 0.83 RAB9A (0.85) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL1747915 0.83 LDHA (0.71) LDHARAB9ANPC1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441755-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2025-10-14 US disclosed
US-20220259251-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-08-18 US disclosed
EP-3994135-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2022-05-11 EP disclosed
CN-114450282-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-06 CN disclosed
WO-2021004940-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-14 WO disclosed
WO-2021004940-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-14 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-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-20060029946-A1 Live cell biosensors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-09 US disclosed
WO-2005106868-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
WO-2005088308-A2 FLUORESCENT SIGNAL EMITTING LIVE CELL BIOSENSOR MOLECULES AND DYES FOR DETECTION AND QUANTIFICATION OF PROTEIN ACTIVITIES THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-22 WO disclosed
US-20050170517-A1 Materials for enhancing staining of biopolymers in matrices INVITROGEN CORPORATION (US) 2005-08-04 US disclosed
US-6878551-B2 For proteins/polypeptides within polyacrylamide matrix; mass spectrometry INVITROGEN CORPORATION (US) 2005-04-12 US disclosed
US-20040038418-A1 Materials for enhancing staining of biopolymers in matrices INVITROGEN CORPORATION 2004-02-26 US disclosed
US-6635489-B2 Sensitizing the matrix with heteroaromatic compounds, contacting with reduceable metal salts to stain and detecting INVITROGEN CORPORATION 2003-10-21 US disclosed
EP-1344055-A1 MATERIALS FOR ENHANCING STAINING OF BIOPOLYMERS IN MATRICES INVITROGEN CORPORATION (US) 2003-09-17 EP disclosed
US-20020137222-A1 Materials for enhancing staining of biopolymers in matrices INVITROGEN CORPORATION 2002-09-26 US disclosed
WO-2002042764-A1 MATERIALS FOR ENHANCING STAINING OF BIOPOLYMERS IN MATRICES INVITROGEN CORPORATION (US) 2002-05-30 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 (5 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-20220259251-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS3BP LDHA 1917/4885RAB9A 2538/4885NPC1 1143/4885
US-12441755-B2 Galactoside inhibitor of galectins LGALS1, LGALS3, LGALS2 LDHA 1715/4885RAB9A 2901/4885NPC1 1125/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LDHA 2795/4885RAB9A 333/4885NPC1 896/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LDHA 2795/4885RAB9A 333/4885NPC1 896/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LDHA 2795/4885RAB9A 333/4885NPC1 896/4885

“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.