SCHEMBL5540320

SCHEMBL5540320

O=COCCCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
NQO2 P16083 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACP3 P15309 1/20 0.41
CDYL Q9Y232 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL5538684 0.95 MTNR1A (0.42) MTNR1ANQO2NPC1RAB9AGPR84
SCHEMBL5543510 0.94 SLC16A3 (0.41) MTNR1ANQO2NPC1RAB9AGPR84
SCHEMBL5542952 0.94 SLC16A3 (0.41) MTNR1ANQO2NPC1RAB9AGPR84
SCHEMBL25888 0.90 MTNR1A (0.45) MTNR1ANQO2NPC1RAB9ATDP1
SCHEMBL29853 0.79 NPC1 (0.54) NPC1RAB9ATDP1CYP1A2CYP2C9
SCHEMBL9800436 0.78 CYP1A2 (0.58) MTNR1ANQO2GPR84TDP1MCL1
SCHEMBL5830948 0.78 GPR84 (0.59) MTNR1ANQO2GPR84TDP1MCL1
SCHEMBL2094192 0.77 NQO2 (0.46) MTNR1ANQO2GPR84TDP1MCL1
SCHEMBL143128 0.77 MTNR1A (0.47) MTNR1ANQO2GPR84TDP1MCL1
SCHEMBL2094194 0.77 CYP1A2 (0.47) MTNR1ANQO2GPR84TDP1CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751827-B2 Method for alkylation of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-09-05 US disclosed
US-20160009632-A1 METHOD FOR ALKYLATION OF AMINES TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-14 US disclosed
EP-2966057-A1 METHOD FOR ALKYLATION OF AMINES Takasago International Corporation (JP) 2016-01-13 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MTNR1A 1560/4885NQO2 123/4885NPC1 2404/4885
US-20160009632-A1 METHOD FOR ALKYLATION OF AMINES TAAR5, ADH5, ADH1A MTNR1A 1990/4885NQO2 205/4885NPC1 3852/4885

“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.