SCHEMBL757063

SCHEMBL757063

c1ccc(CCc2cc(CCNc3ccccc3)ncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 3/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
EGFR P00533 1/20 0.48
APP P05067 1/20 0.48
MAP2K7 O14733 1/20 0.46
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
F2 P00734 1/20 0.43
GRIN2B Q13224 1/20 0.43
SLC29A1 Q99808 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 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
SCHEMBL13754947 0.84 KCNH2 (0.56) HTTMAPK1LMNAEGFRAPP
SCHEMBL3432650 0.82 MAP2K7 (0.44) HTTMAPK1LMNAEGFRAPP
SCHEMBL755313 0.82 TAAR1 (0.58) L3MBTL1HTTMAPK1LMNAEGFR
SCHEMBL752175 0.81 GAA (0.58) KCNH2ALDH1A1MAPTKDM4EMEN1
SCHEMBL13754981 0.80 KCNH2 (0.47) HTTMAPK1LMNAEGFRAPP
SCHEMBL752036 0.78 SIGMAR1 (0.45) HTTMAPK1LMNAEGFRAPP
SCHEMBL755006 0.78 MAP2K7 (0.40) HTTMAPK1LMNAEGFRAPP
SCHEMBL24375975 0.76 L3MBTL1 (0.95) L3MBTL1LMNAKCNH2ALDH1A1MAPT
SCHEMBL21186859 0.76 L3MBTL1 (0.95) L3MBTL1LMNAKCNH2ALDH1A1MAPT
SCHEMBL88597 0.76 L3MBTL1 (0.95) L3MBTL1LMNAKCNH2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 L3MBTL1 623/4885HTT 4561/4885MAPK1 3173/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI L3MBTL1 1368/4885HTT 4541/4885MAPK1 3073/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI L3MBTL1 1368/4885HTT 4541/4885MAPK1 3073/4885

“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.