SCHEMBL5541171

SCHEMBL5541171

Cc1cccc(CNc2cc[c]cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
GFER P55789 1/20 0.48
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
APP P05067 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL25547404 0.84 HTT (0.69) HTTGFERMAPTNPC1RAB9A
SCHEMBL11831264 0.84 HTT (0.63) HTTGFERCYP2D6CYP1A2MAPT
SCHEMBL5544638 0.83 MAPT (0.49) HTTCYP2D6CYP1A2MAPTCYP3A4
SCHEMBL5542120 0.83 CXCR4 (0.47) HTTMAPTRAB9AALDH1A1HPGD
SCHEMBL21241028 0.82 MAPT (0.64) HTTGFERCYP2D6CYP1A2MAPT
SCHEMBL5541430 0.81 CYP1A2 (0.46) HTTCYP2D6CYP1A2MAPTCYP3A4
SCHEMBL7092635 0.79 MEN1 (0.40) HTTMAPTRECQLRAB9AALDH1A1
SCHEMBL5541120 0.79 CHRM2 (0.49) MAPTAPPP2RX7KCNN3
SCHEMBL5846731 0.79 MAOA (0.43)
SCHEMBL5544344 0.79 FFAR1 (0.55) MAPTAPPRECQLRAB9AALDH1A1

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 6 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-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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 HTT 4644/4885GFER 1352/4885CYP2D6 728/4885

“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.