SCHEMBL3178559

SCHEMBL3178559

O=C(Nc1nncs1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 1.00
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 4/20 0.56
HIF1A Q16665 1/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
SCD O00767 1/20 0.54
KMT2A Q03164 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL3379803 0.83 AQP4 (0.70) AQP4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3178619 0.78 NPC1 (0.72) AQP4NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7553959 0.76 AQP4 (0.61) AQP4SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL8127812 0.75 AQP4 (0.60) AQP4RAB9ASMN1; SMN2L3MBTL1POLB
SCHEMBL7348856 0.75 LMNA (0.62) AQP4NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8554147 0.75 LMNA (0.65) AQP4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL9963857 0.74 KDM4E (0.61) AQP4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25287793 0.73 LMNA (0.90) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10406072 0.73 KMT2A (0.66) AQP4RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL1924051 0.73 NPC1 (0.63) AQP4NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137265-A1 METHODS AND COMPOSITIONS FOR REDUCING GLIAPTOSIS: MACROGLIA-INDUCED NEURONAL CELL DEATH SAINT MICHAEL'S COLLEGE, INC. (US) 2025-06-26 WO claimed
WO-2025075479-A1 USE OF AQUAPORIN 4 INHIBITOR FOR TREATING ATRIAL FIBRILLATION 이화여자대학교 산학협력단 2025-04-10 WO claimed
CN-118178653-A Application of transmembrane water-exchange protein AQP4 inhibitor in preparation of antitumor drugs 山东第一医科大学附属省立医院(山东省立医院) 2024-06-14 CN claimed
CN-121449682-A Preparation method of targeted drug polypeptide for glioma treatment, product and application thereof 国家纳米科学中心 2026-02-03 CN disclosed
WO-2025137265-A1 METHODS AND COMPOSITIONS FOR REDUCING GLIAPTOSIS: MACROGLIA-INDUCED NEURONAL CELL DEATH SAINT MICHAEL'S COLLEGE, INC. (US) 2025-06-26 WO disclosed
WO-2025075479-A1 USE OF AQUAPORIN 4 INHIBITOR FOR TREATING ATRIAL FIBRILLATION 이화여자대학교 산학협력단 2025-04-10 WO disclosed
WO-2024228954-A2 COMPOSITIONS FOR MODULATING THE EXPRESSION OF AQUAPORINS IN NEURODEGENERATIVE DISORDERS MAJEED ANJU (IN) 2024-11-07 WO disclosed
WO-2024228949-A1 COMPOSITIONS FOR MODULATING THE EXPRESSION OF AQUAPORINS IN DIABETES AND ASSOCIATED CONDITIONS MAJEED ANJU (IN) 2024-11-07 WO disclosed
EP-4455654-A1 METHOD FOR MEASURING OUTFLOW RATE OF WATER MOLECULES ACROSS CELL MEMBRANES, USES OF OUTFLOW RATE OF WATER MOLECULES ACROSS CELL MEMBRANES, AND METHOD AND SYSTEM FOR MEASURING GLIOMA MAGNETIC RESONANCE IMAGING MARKERS Zhejiang University (CN) 2024-10-30 EP disclosed
US-20240316085-A1 METHODS, AGENTS, AND DEVICES FOR LOCAL NEUROMODULATION OF AUTONOMIC NERVES Tulavi Therapeutics, Inc. 2024-09-26 US disclosed
US-12029733-B2 Treatment of sepsis and related inflammatory conditions by local neuromodulation of the autonomic nervous system Tulavi Therapeutics, Inc. (US) 2024-07-09 US disclosed
US-10945995-B2 Compositions and methods for channelopathy disorders-targeting fluid movement across membranes DEHA, LLC (US) 2021-03-16 US disclosed
US-20200281898-A1 Compositions and Methods for Channelopathy Disorders-Targeting Fluid Movement Across Membranes SRIPATHIRATHAN, Kumar 2020-09-10 US disclosed
WO-2019067458-A1 COMPOSITIONS AND METHODS FOR CHANNELOPATHY DISORDERS-TARGETING FLUID MOVEMENT ACROSS MEMBRANES DEHA, LLC (US) 2019-04-04 WO disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 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 (3 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-20200281898-A1 Compositions and Methods for Channelopathy Disorders-Targeting Fluid Movement Across Membranes AQP4, AQP1, AQP3 AQP4 1/4885NPC1 238/4885RAB9A 1457/4885
US-10945995-B2 Compositions and methods for channelopathy disorders-targeting fluid movement across membranes AQP4, AQP1, AQP3 AQP4 1/4885NPC1 238/4885RAB9A 1457/4885
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF AQP4, AQP1, AQP3 AQP4 1/4885NPC1 276/4885RAB9A 2079/4885

“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.