SCHEMBL4449131

SCHEMBL4449131

CC(=O)Nc1ncccc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
NR0B1 P51843 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
POLB P06746 1/20 0.46
CGAS Q8N884 1/20 0.45

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
SCHEMBL1652624 0.82 NPC1 (0.61) NPC1RAB9ANR0B1MEN1KMT2A
SCHEMBL8510246 0.82 NPC1 (0.51) NPC1RAB9ANR0B1MEN1KMT2A
SCHEMBL5629538 0.81 RAB9A (0.65) NPC1RAB9AKMT2AATML3MBTL1
SCHEMBL4272878 0.81 MEN1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31076256 0.81 MEN1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30421156 0.81 RAB9A (0.65) NPC1RAB9AKMT2AATML3MBTL1
SCHEMBL5631579 0.81 NPC1 (0.55) NPC1RAB9ANR0B1MEN1KMT2A
SCHEMBL6361946 0.80 RAB9A (0.58) NPC1RAB9ANR0B1MEN1KMT2A
SCHEMBL16303154 0.80 NPC1 (0.52) NPC1RAB9ANR0B1MEN1KMT2A
SCHEMBL2601270 0.80 NPC1 (0.52) NPC1RAB9ANR0B1MEN1KMT2A

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
CN-119874130-A Thiocyanate radical removing method for enhancing electron transfer and transfer 中国科学院生态环境研究中心 2025-04-25 CN claimed
CN-119874130-A Thiocyanate radical removing method for enhancing electron transfer and transfer 中国科学院生态环境研究中心 2025-04-25 CN disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20220127267-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2022-04-28 US disclosed
US-9593095-B2 Methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-03-14 US disclosed
US-20140371194-A1 METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS THE UNIVERSITY OF KANSAS 2014-12-18 US disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1485371-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2004-12-15 EP disclosed
EP-1483270-A1 HETEROCYCLIC AMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN PHOSPHORYLASE Astrazeneca AB (SE) 2004-12-08 EP disclosed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 WO disclosed
WO-2003074532-A1 HETEROCYCLIC AMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN PHOSPHORYLASE ASTRAZENECA AB (SE) 2003-09-12 WO disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP 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 (6 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 NPC1 935/4885RAB9A 558/4885NR0B1 440/4885
US-20220127267-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS PDK2, PDK1, PDK3 NPC1 4625/4885RAB9A 3825/4885NR0B1 738/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 NPC1 1575/4885RAB9A 398/4885NR0B1 1142/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 NPC1 642/4885RAB9A 560/4885NR0B1 276/4885
US-20140371194-A1 METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CRYAB, HSP90B1, SERPINB1 NPC1 1325/4885RAB9A 2197/4885NR0B1 3652/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 NPC1 3175/4885RAB9A 3922/4885NR0B1 179/4885

“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.