SCHEMBL29458043

SCHEMBL29458043

O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
SENP1 Q9P0U3 1/20 0.43
AMY1A P0DUB6 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36

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
SCHEMBL3397181 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3435915 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3397185 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3427572 0.97 GRIN1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL4339151 0.97 GRIN1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3427709 0.92 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3406007 0.92 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3402815 0.88 AMY1A (0.44) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL4350999 0.88 AMY1A (0.44) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3426908 0.88 GRIN1 (0.32) NPC1RAB9AGRIN1GRIN2BSENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240277636-A1 COMBINATION COMPRISING AT LEAST ONE SEROTONIN REUPTAKE INHIBITOR AND AT LEAST ONE STIMULATOR OF POTASSIUM-CHLORIDE COTRANSPORTER TYPE 2 AND ITS MEDICAL USE UNIVERSITé LAVAL (CA) 2024-08-22 US claimed
US-20240197728-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY INST NAT SANTE RECH MED (FR) 2024-06-20 US claimed
EP-4358947-A1 COMBINATION COMPRISING AT LEAST ONE SEROTONIN REUPTAKE INHIBITOR AND AT LEAST ONE STIMULATOR OF POTASSIUM-CHLORIDE COTRANSPORTER TYPE 2 AND ITS MEDICAL USE UNIVERSITE DE BORDEAUX (FR) 2024-05-01 EP claimed
CN-117897147-A Combination comprising at least one serotonin reuptake inhibitor and at least one potassium chloride type 2 cotransporter stimulator and medical use thereof 波尔多大学 2024-04-16 CN claimed
WO-2023125404-A1 SPINAL CORD INJURY TARGETED DRUG, POLYMER-HYDROPHOBIC COMPOUND MICELLE, AND PREPARATION METHOD FOR SPINAL CORD INJURY TARGETED DRUG 浙江大学 2023-07-06 WO claimed
CN-113813262-B Application of CLP257 in preparation of anxiety prevention and treatment medicines 徐州医科大学 2023-04-11 CN claimed
WO-2022268738-A1 COMBINATION COMPRISING AT LEAST ONE SEROTONIN REUPTAKE INHIBITOR AND AT LEAST ONE STIMULATOR OF POTASSIUM-CHLORIDE COTRANSPORTER TYPE 2 AND ITS MEDICAL USE Universite de Bordeaux (FR) 2022-12-29 WO claimed
EP-4108238-A1 COMBINATION COMPRISING AT LEAST ONE SEROTONIN REUPTAKE INHIBITOR AND AT LEAST ONE STIMULATOR OF POTASSIUM-CHLORIDE COTRANSPORTER TYPE 2 AND ITS MEDICAL USE UNIVERSITE DE BORDEAUX (FR) 2022-12-28 EP claimed
WO-2022219021-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-10-20 WO claimed
CN-114452256-A Spinal cord injury targeted drug, polymer-hydrophobic compound micelle and preparation method thereof 浙江大学 2022-05-10 CN claimed
EP-4719435-A2 COMPOSITIONS TO TREAT OBESITY BY TARGETING KCC2 AND NKCC1 The Jackson Laboratory (US) 2026-04-08 EP disclosed
EP-4689110-A1 ANTISENSE OLIGONUCLEOTIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ProQR Therapeutics II B.V. (NL) 2026-02-11 EP disclosed
EP-3873439-B1 SPAK KINASE INHIBITORS AS NEUROPROTECTIVE AGENTS US GOV VETERANS AFFAIRS (US) 2025-12-03 EP disclosed
WO-2024243538-A2 METHODS AND COMPOSITIONS TO TREAT OBESITY BY TARGETING KCC2 AND NKCC1 THE JACKSON LABORATORY (US) 2024-11-28 WO disclosed
WO-2024206175-A1 ANTISENSE OLIGONUCLEOTIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROQR THERAPEUTICS II B.V. (NL) 2024-10-03 WO disclosed
US-20220281930-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL PAIN AND ITCH DUKE UNIVERSITY (US) 2022-09-08 US disclosed
US-11414379-B2 SPAK kinase inhibitors as neuroprotective agents UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2022-08-16 US disclosed
EP-4017873-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL PAIN AND ITCH Duke University (US) 2022-06-29 EP disclosed
CN-114452256-A Spinal cord injury targeted drug, polymer-hydrophobic compound micelle and preparation method thereof 浙江大学 2022-05-10 CN disclosed
US-11246879-B2 Methods, agents, and devices for local neuromodulation of autonomic nerves Tulai Therapeutics, Inc. (US) 2022-02-15 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 (2 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-11414379-B2 SPAK kinase inhibitors as neuroprotective agents SBK1, DAPK2, SPAST NPC1 1400/4885RAB9A 3959/4885GRIN1 337/4885
US-20240197728-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY SLC6A13, SLC6A1, CLCN2 NPC1 334/4885RAB9A 3241/4885GRIN1 554/4885

“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.