SCHEMBL753019

SCHEMBL753019

CCOC(=O)C(O)=Cc1cc(Oc2ccccc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDR P35968 1/20 0.42
TNNI3K Q59H18 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NR1H4 Q96RI1 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL16921582 1.00 MAPT (0.47) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL755251 0.84 NR1H4 (0.49) L3MBTL1MEN1KMT2AALDH1A1NR1H4
SCHEMBL755250 0.84 NR1H4 (0.49) L3MBTL1MEN1KMT2AALDH1A1NR1H4
SCHEMBL751448 0.81 MEN1 (0.43) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL751449 0.81 MEN1 (0.43) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL752478 0.80 MEN1 (0.44) MAPTCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL752479 0.80 MEN1 (0.44) MAPTCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL765088 0.78 NPC1 (0.46) MAPTCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL753939 0.78 NPC1 (0.46) MAPTCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL13427750 0.77 MEN1 (0.42) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MAPT 4635/4885CYP1A2 1120/4885CYP2C19 1383/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885CYP1A2 875/4885CYP2C19 1293/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885CYP1A2 875/4885CYP2C19 1293/4885

“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.