SCHEMBL4460836

SCHEMBL4460836

Cc1ccc2cs[c]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
CYP1A2 P05177 5/20 0.44
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NCK1 P16333 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
TP53 P04637 2/20 0.30
ALOX15 P16050 2/20 0.30
NQO2 P16083 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL700107 0.83 CYP2A6 (0.44) CYP2A6CYP1A2TDP1ALDH1A1LMNA
SCHEMBL4461028 0.74 CYP2A6 (0.38) CYP2A6TDP1ALDH1A1HPGDHSD17B10
SCHEMBL5534612 0.74 LMNA (0.39) ALDH1A1LMNAGAAALOX12SMN1; SMN2
SCHEMBL820190 0.67 CYP2A6 (0.52) CYP2A6CYP1A2TDP1ALDH1A1LMNA
SCHEMBL10407020 0.65 MAPT (0.37) CYP2A6CYP1A2TDP1ALDH1A1LMNA
SCHEMBL2885652 0.65 CYP2A6 (0.38) CYP2A6CYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL21177765 0.65 CYP2A6 (0.33) CYP2A6ALOX12
SCHEMBL28130734 0.65 CYP2A6 (0.33) CYP2A6ALOX12
SCHEMBL593462 0.64 CYP2A6 (0.48) CYP2A6CYP1A2TDP1ALDH1A1LMNA
SCHEMBL308248 0.64 CYP1A2 (1.00) CYP2A6CYP1A2TDP1ALDH1A1LMNA

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 16 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
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-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 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
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (3 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 CYP2A6 1119/4885CYP1A2 659/4885TDP1 4666/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP2A6 3427/4885CYP1A2 628/4885TDP1 657/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG CYP2A6 432/4885CYP1A2 175/4885TDP1 1546/4885

“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.