SCHEMBL29852

SCHEMBL29852

O=[C]OCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PARP10 Q53GL7 1/20 0.46
ACP3 P15309 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP2D6 P10635 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ATM Q13315 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL3767629 0.90 HPRT1 (0.47) TDP1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL1256764 0.84 MTNR1A (0.43) CYP2C19MEN1KMT2ANPC1RAB9A
SCHEMBL5515409 0.81 MTNR1A (0.45) TDP1CYP1A2CYP2C19CYP2C9ACP3
SCHEMBL6795100 0.81 CYP1A2 (0.47) TDP1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL27416090 0.81 PDCD1 (0.38) TDP1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL5540306 0.79 MTNR1A (0.43) TDP1CYP1A2CYP2C19CYP2C9ACP3
SCHEMBL6538995 0.78 TDP1 (0.44) TDP1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL1539118 0.78 TRPM4 (0.38) TDP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL5538679 0.78 MTNR1A (0.42) TDP1CYP1A2CYP2C19CYP2C9ACP3
SCHEMBL31012122 0.77 CYP1A2 (0.56) TDP1CYP1A2CYP2C19CYP2C9MEN1

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 1042 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020022892-A1 TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-30 WO claimed
CN-102264708-B Process for producing quinazoline derivative SHIONOGI & CO 2015-02-25 CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
CN-100357267-C Use of 2, 4-diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors NOVARTIS AG (CH) 2007-12-26 CN claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
CN-1105712-C N-cyanoaryl nitrogen heterocyclic compound BAYER AG (DE) 2003-04-16 CN claimed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US claimed
EP-0763053-A4 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORP (US) 1998-09-09 EP claimed
CN-1150801-A N-cyanoaryl nitrogen heterocyclic compounds BAYER AG (DE) 1997-05-28 CN claimed
EP-0763053-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP claimed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US claimed
US-5530142-A REACTING A PHOSPHONATE WITH A VINYL SUBSTITUTED PERHYDROOXAZOLIDIN-4-ONE RING IN PRESENCE OF A CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-25 US claimed
WO-1995033761-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
US-5374736-A L-4-(phosphinylethyl)-1,3-oxazolidin-5-one derivatives as intermediates for synthesis of phosphorus-containing L-amino acids HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 US claimed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP claimed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US claimed
EP-0011283-A1 New lactyl tetrapeptide, processes for preparation thereof and pharmaceutical compositions containing it FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-28 EP claimed
US-4169939-A PROCESSES FOR THE PRODUCTION OF 3',4'-DIDEOXYKANAMYCIN B ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1979-10-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TDP1 4666/4885CYP1A2 659/4885CYP2C19 2521/4885

“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.