SCHEMBL4973712

SCHEMBL4973712

CCCN(CCC)c1ccc([O])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ ESRRG P62508 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ALDH3A1 P30838 2/20 0.40
▸ ALDH1A3 P47895 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ AR P10275 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ IGLV6-57 P01721 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL7150414 0.87 EGFR (0.47) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL4224314 0.82 EGFR (0.44) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL7155728 0.80 HRH3 (0.48) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL1582916 0.80 ALDH1A1 (0.60) CNR2ALDH1A1ALDH3A1ALDH1A3L3MBTL1
SCHEMBL10300283 0.80 HRH3 (0.48) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL516400 0.78 CYP2C19 (0.48) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL14713543 0.78 ALDH1A1 (0.55) EGFRERBB2CNR2ALDH1A1L3MBTL1
SCHEMBL22819182 0.77 EGFR (0.42) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL24720963 0.76 EGFR (0.41) EGFRERBB2ESRRGCNR2ALDH1A1
SCHEMBL21065737 0.76 CYP2C19 (0.47) EGFRERBB2ESRRGCNR2ALDH1A1

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 EGFR 3049/4885ERBB2 1929/4885ESRRG 609/4885

“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.

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