SCHEMBL29853

SCHEMBL29853

O=COCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
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 2/20 0.46
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.46
ACP3 P15309 1/20 0.46
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
SCHEMBL9572670 0.90 HPRT1 (0.47) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL11306437 0.88 NPC1 (0.40) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL27976524 0.86 PPARG (0.43) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL1256766 0.84 NPC1 (0.47) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL25888 0.81 MTNR1A (0.45) NPC1RAB9ATDP1CYP1A2CYP2C19
SCHEMBL11406620 0.81 SRC (0.40) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL28561593 0.81 CYP1A2 (0.48) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL14803712 0.81 CYP1A2 (0.47) NPC1RAB9ASLC1A3SLC1A2SLC1A1
Ethoxycarbonyl Group SCHEMBL27759216 0.80 CYP1A2 (0.44) NPC1RAB9ATDP1CYP1A2CYP2C19
SCHEMBL5540320 0.79 MTNR1A (0.43) NPC1RAB9ATDP1CYP1A2CYP2C19

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 887 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
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
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 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 NPC1 2404/4885RAB9A 2824/4885SLC1A3 2209/4885

“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.