SCHEMBL7272835

SCHEMBL7272835

CCCCN([C]=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KCNH2 Q12809 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 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
SCHEMBL4585544 0.93 KCNH2 (0.49) ALDH1A1KCNH2PKMBCHE
SCHEMBL14855323 0.93 KCNH2 (0.49) ALDH1A1KCNH2PKMBCHE
SCHEMBL4585886 0.93 KCNH2 (0.49) ALDH1A1KCNH2PKMBCHE
SCHEMBL8857301 0.89 ALDH1A1 (0.48) ALDH1A1TSHRBCHELMNA
SCHEMBL5540856 0.84 SIGMAR1 (0.47) ALDH1A1KCNH2HDAC1HDAC6BCHE
SCHEMBL10589011 0.83 SIGMAR1 (0.56) ALDH1A1TSHRBCHE
SCHEMBL10590827 0.83 SIGMAR1 (0.56) ALDH1A1TSHRBCHE
SCHEMBL27610262 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL5537797 0.82 SIGMAR1 (0.54) ALDH1A1KCNH2MAPT
SCHEMBL968494 0.81 ALDH1A1 (0.52) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-5688823-A ANTILIPEMIC AGENTS, ANTIGLYCEMIC AGENTS, OBESITY, GLUCOSE TOLERANCE INSUFFICIENCY, INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1997-11-18 US disclosed
US-5578620-A TREATMENT OF DIABETES AND HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1996-11-26 US disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 EP disclosed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
EP-0309841-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1989-04-05 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 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 (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-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD ALDH1A1 1612/4885KCNH2 782/4885KMT2A 1996/4885

“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.