SCHEMBL3789941

SCHEMBL3789941

NCc1ccc(-c2[c]cco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HRH3 Q9Y5N1 1/20 0.48
LOXL2 Q9Y4K0 4/20 0.38
CYP2A6 P11509 2/20 0.38
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 1/20 0.36
ABAT P80404 1/20 0.35
CSNK2A1 P68400 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL3787893 0.84 LOXL2 (0.43) TAAR1LOXL2CSNK2A1
SCHEMBL3785401 0.78 TAAR1 (0.46) TAAR1KDM4ENPC1ALDH1A1TP53
SCHEMBL5539417 0.74 PTGS1 (0.38) NPC1TP53SMN1; SMN2HSD17B10
SCHEMBL5539585 0.74 NPC1 (0.39) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL512152 0.74 CYP1A2 (0.46) CYP2A6KDM4ENPC1ALDH1A1TP53
SCHEMBL21295764 0.69 NOTUM (0.46) KDM4ENPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL131842 0.69 TAAR1 (1.00) TAAR1HRH3LOXL2CYP2A6ADRB2
SCHEMBL22202237 0.69 TAAR1 (1.00) TAAR1HRH3LOXL2CYP2A6ADRB2
SCHEMBL22291708 0.69 TAAR1 (1.00) TAAR1HRH3LOXL2CYP2A6ADRB2
SCHEMBL3792757 0.69 MAOA (0.52) KDM4ENPC1ALDH1A1TP53HPGD

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 7 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US 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
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TAAR1 1746/4885HRH3 169/4885LOXL2 1544/4885

“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.