SCHEMBL485125

SCHEMBL485125

COc1cccc2c(N)cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.76
EP300 Q09472 2/20 0.73
KAT8 Q9H7Z6 1/20 0.73
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
ADRA2B P18089 1/20 0.60
PTGS1 P23219 1/20 0.60
CYP3A4 P08684 4/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 3/20 0.59
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
NR4A2 P43354 1/20 0.46

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
SCHEMBL30881664 1.00 IDO1 (0.76) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL331453 0.86 IDO1 (1.00) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL31116611 0.85 CA1 (0.61) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL357145 0.85 CA1 (0.61) IDO1EP300KAT8ALDH1A1TDP1
Hydrochloric Acid SCHEMBL6155452 0.84 EP300 (1.00) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL11674477 0.81 IDO1 (0.62) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL12473426 0.80 CA1 (0.55) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL5749415 0.79 NQO1 (0.53) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL11618652 0.78 IDO1 (0.64) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL5747064 0.78 ALDH1A1 (0.50) IDO1EP300KAT8ALDH1A1TDP1

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
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
CN-106380408-A Preparation of optical homochiral amine 王际菊 2017-02-08 CN disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130286338-A1 Liquid Crystal Display Device and Method of Fabricating the Same LG DISPLAY CO LTD (KR) 2013-10-31 US disclosed
US-20130286338-A1 Liquid Crystal Display Device and Method of Fabricating the Same LG DISPLAY CO LTD (KR) 2013-10-31 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
WO-2005049023-A1 GLYT1 TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
WO-2001010890-A2 PROCESS OF SYNTHESIS OF FLUORESCENT PROTEASE SUBSTRATES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-02-15 WO disclosed
EP-0148201-A4 NAPHTALENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMA CEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1985-09-26 EP disclosed
US-4543352-A ANTISECRETORY, ANTIULCER, ANTACID, HISTAMINE H2-ANTAGONISTS WILLIAM H. RORER, INC. (US) 1985-09-24 US disclosed
EP-0148201-A1 NAPHTALENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMA CEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1985-07-17 EP disclosed
WO-1984004245-A1 NAPHTALENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMA CEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 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 (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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 IDO1 1625/4885EP300 1670/4885KAT8 3183/4885
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 IDO1 548/4885EP300 3516/4885KAT8 2436/4885

“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.