SCHEMBL753939

SCHEMBL753939

CCOC(=O)C(O)=Cc1ccc(Oc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
LTA4H P09960 1/20 0.43
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL765088 1.00 NPC1 (0.46) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL755401 0.90 MAPT (0.46) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL755400 0.90 MAPT (0.46) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL13427742 0.85 NR1H4 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1563369 0.85 NR1H4 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL755353 0.84 MEN1 (0.47) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL755354 0.84 MEN1 (0.47) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL751448 0.84 MEN1 (0.43) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL751449 0.84 MEN1 (0.43) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL1564308 0.83 NR1H4 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1

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 13 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN 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
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN 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 NPC1 1838/4885RAB9A 2373/4885HPGD 2278/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885HPGD 2594/4885

“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.