SCHEMBL677470

SCHEMBL677470

c1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
MEN1 O00255 5/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2D6 P10635 3/20 1.00
CYP2C19 P33261 3/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
ALDH1A1 P00352 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 6/20 0.62
HTT P42858 5/20 0.62
KDM4E B2RXH2 4/20 0.62
LMNA P02545 3/20 0.62
POLB P06746 4/20 0.62
OGA O60502 2/20 0.61
HIF1A Q16665 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 2/20 0.58

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
SCHEMBL29384882 1.00 KMT2A (1.00) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL23652794 0.86 MEN1 (0.76) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7756335 0.82 RAB9A (0.74) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7760900 0.81 RAB9A (1.00) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7959699 0.81 RAB9A (0.71) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL6905577 0.80 MEN1 (0.66) KMT2AMEN1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7963191 0.79 RAB9A (0.81) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7761263 0.79 RAB9A (0.81) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL27645188 0.78 RAB9A (0.75) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7760033 0.78 RAB9A (0.79) KMT2AMEN1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011126937-A1 TARGETED INTRACELLULAR DELIVERY OF OLIGONUCLEOTIDES VIA CONJUGATION WITH SMALL MOLECULE LIGANDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-10-13 WO claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO claimed
WO-2024044355-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER NEUROGENERATIVE DISEASE 1/1THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-02-29 WO disclosed
US-11813304-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2023-11-14 US disclosed
US-20230277523-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2023-09-07 US disclosed
EP-3884935-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2023-06-14 EP disclosed
CN-114404588-A Compounds and methods for inhibiting phosphate transport 阿德利克斯公司 2022-04-29 CN disclosed
CN-114340631-A Combination for reducing serum phosphate in a patient 阿德利克斯股份有限公司 2022-04-12 CN disclosed
EP-3972599-A1 COMBINATION FOR LOWERING SERUM PHOSPHATE IN A PATIENT Ardelyx, Inc. (US) 2022-03-30 EP disclosed
CN-105979959-B Compounds and methods for inhibiting phosphate transport 阿德利克斯公司 2021-11-30 CN disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 US disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
EP-1423103-A2 COMPOSITIONS AND METHODS FOR MODULATION OF DARPP-32 PHOSPHORYLATION THE ROCKEFELLER UNIVERSITY (US) 2004-06-02 EP disclosed
WO-2003014321-A2 COMPOSITIONS AND METHODS FOR MODULATION OF DARPP-32 PHOSPHORYLATION THE ROCKEFELLER UNIVERSITY (US) 2003-02-20 WO disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO disclosed
WO-2001095902-A9 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS 2002-04-25 WO disclosed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 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 (4 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-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 KMT2A 257/4885MEN1 4090/4885CYP1A2 4835/4885
US-11813304-B2 Compounds and methods for inhibiting phosphate transport SLC34A3, SLC34A2, SLC34A1 KMT2A 4666/4885MEN1 2203/4885CYP1A2 3929/4885
US-20230277523-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 KMT2A 4139/4885MEN1 2648/4885CYP1A2 4678/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 KMT2A 1331/4885MEN1 4080/4885CYP1A2 4444/4885

“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.