SCHEMBL755968

SCHEMBL755968

O=Cc1ccc(OCc2ccc(F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 2/20 0.56
APP P05067 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NR4A2 P43354 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
ALKBH1 Q13686 1/20 0.43

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
SCHEMBL4548433 0.84 NPC1 (0.58) MAOBAPPALDH1A1ALKBH1
SCHEMBL227169 0.84 P4HTM (0.58) MAOBMAOANR4A2CA12CA1
SCHEMBL6873145 0.84 MAOB (0.51) MAOBMAOACYP4F2CYP4A11
SCHEMBL6873030 0.82 MAOB (0.64) MAOBMAOANR4A2PARP10ALKBH1
SCHEMBL16838775 0.80 L3MBTL1 (0.53) ALDH1A1L3MBTL1
SCHEMBL15775775 0.80 CYP4F2 (0.56) CYP4F2CYP4A11
SCHEMBL17028616 0.77 ALDH1A1 (0.39) MAOBMAOAALDH1A1L3MBTL1ALKBH1
SCHEMBL865238 0.77 MAOB (0.67) MAOBMAOAAPPNR4A2CA12
SCHEMBL16921583 0.76 NR4A2 (0.48) MAOBMAOACYP4F2CYP4A11NR4A2
SCHEMBL754321 0.76 NR4A2 (0.48) MAOBMAOACYP4F2CYP4A11NR4A2

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 25 patents — showing the first 20. 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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-1261414-C Pyridineamido derivatives as inhibitors of monoamine oxidase (MAO-B) HOFFMANN LA ROCHE (CH) 2006-06-28 CN disclosed
CN-1628102-A Pyridineamido derivatives as inhibitors of monoamine oxidase (MAO-B) HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1474394-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed
US-6667327-B2 Pyridine amido derivatives HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
US-20030158235-A1 Pyridine amido derivatives F.HOFFMAN-LA ROCHE AG (CH) 2003-08-21 US disclosed
WO-2003066596-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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 (4 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 MAOB 709/4885MAOA 592/4885APP 3873/4885
US-20030158235-A1 Pyridine amido derivatives MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885APP 10/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885APP 4073/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885APP 4073/4885

“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.