SCHEMBL752175

SCHEMBL752175

c1ccc(CCc2cc(CCNCc3ccccc3)ncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
SIGMAR1 Q99720 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCHE P06276 3/20 0.49
ROCK2 O75116 1/20 0.47
KCNH2 Q12809 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAOA P21397 1/20 0.46
MPO P05164 1/20 0.45
CHRM2 P08172 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL13754947 0.84 KCNH2 (0.56) KCNH2MAOAALDH1A1ESR1ESR2
SCHEMBL755313 0.82 TAAR1 (0.58) SIGMAR1MEN1KMT2ATDP1KCNH2
SCHEMBL3432650 0.82 MAP2K7 (0.44) GAAMAPTMEN1KMT2AKCNH2
SCHEMBL757063 0.81 L3MBTL1 (0.58) GAAMAPTMEN1KMT2AKCNH2
SCHEMBL752036 0.78 SIGMAR1 (0.45) SIGMAR1KCNH2ESR1
SCHEMBL755006 0.78 MAP2K7 (0.40) GAAMAPTMEN1KMT2AKCNH2
SCHEMBL27228 0.76 GAA (0.95) GAAMAPTSIGMAR1MEN1KMT2A
SCHEMBL6810696 0.76 HTR2A (0.54) KCNH2MAOA
SCHEMBL13754981 0.76 KCNH2 (0.47) KCNH2MAOAESR1ESR2
SCHEMBL752310 0.76 TDP1 (0.54) TDP1KCNH2KDM4EALDH1A1ESR1

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 9 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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GAA 1442/4885MAPT 4426/4885SIGMAR1 1890/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GAA 1442/4885MAPT 4426/4885SIGMAR1 1890/4885

“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.