SCHEMBL4976211

SCHEMBL4976211

CCCN(CCC)c1cccc([O])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.39
HTR7 P34969 1/20 0.38
AR P10275 1/20 0.38
IGLV6-57 P01721 1/20 0.36
TP53 P04637 1/20 0.34
ALDH3A1 P30838 2/20 0.34
ALDH1A3 P47895 2/20 0.34
KCNA5 P22460 2/20 0.34
CNR2 P34972 1/20 0.34
KCNN4 O15554 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL1583101 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPTIGLV6-57TP53
SCHEMBL4974675 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL8391381 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL10903401 0.78 TAAR1 (0.44) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL30124196 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTS1PR1HTR7
Lithium Ion SCHEMBL19732619 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL10139683 0.76 CYP3A4 (0.42) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL21065775 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTS1PR1HTR7
SCHEMBL30882178 0.76 ALDH1A1 (0.71) ALDH1A1CYP3A4HTR7
SCHEMBL17863879 0.76 TAAR1 (0.43) ALDH1A1CYP3A4MAPTS1PR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885CYP3A4 1683/4885MAPT 4117/4885

“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.