SCHEMBL5547875

SCHEMBL5547875

[CH2]c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.59
▸ ALOX5 P09917 1/20 0.55
▸ MAOB P27338 2/20 0.53
▸ ESR2 Q92731 1/20 0.50
▸ PGR P06401 4/20 0.46
▸ BACE1 P56817 1/20 0.44
▸ TDP2 O95551 2/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ MAP4K4 O95819 3/20 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
SCHEMBL31491189 0.88 TAAR1 (0.71) TAAR1ALOX5MAOBESR2PGR
SCHEMBL16394285 0.88 TAAR1 (0.71) TAAR1ALOX5MAOBESR2PGR
SCHEMBL20669453 0.85 TAAR1 (0.68) TAAR1ALOX5MAOBESR2PGR
SCHEMBL2088470 0.84 ALOX5 (0.52) TAAR1ALOX5MAOBESR2PGR
SCHEMBL16394095 0.83 TAAR1 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL29776911 0.83 TAAR1 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL1520884 0.83 TAAR1 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL817554 0.83 ALOX5 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL31222672 0.83 ALOX5 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL22167038 0.81 TAAR1 (0.63) TAAR1ALOX5MAOBESR2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651900-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 — — 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
WO-2012082857-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — WO 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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 — — WO 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 TAAR1 364/4885ALOX5 3374/4885MAOB 2140/4885

“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.

Send feedback