SCHEMBL752089

SCHEMBL752089

Cc1nccc(CCc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
NOS1 P29475 2/20 0.42
GRM4 Q14833 1/20 0.42
DHFR P00374 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19591020 0.83 GRM4 (0.43) GRM4ALDH1A1NOS2POLBGAA
SCHEMBL9096133 0.78 KCNH2 (0.57) KCNH2NOS1GRM4DHFRBACE1
SCHEMBL17898217 0.78 KCNH2 (0.57) KCNH2NOS1DHFRKDM4EALDH1A1
SCHEMBL990352 0.77 KCNH2 (0.52) KCNH2NOS1ALDH1A1BACE1CYP1A2
SCHEMBL805512 0.76 KDM4E (0.42) KCNH2NOS1GRM4KDM4EALDH1A1
SCHEMBL12206982 0.75 KCNH2 (0.49) KCNH2NOS1DHFRKDM4EALDH1A1
SCHEMBL28257410 0.74 KCNH2 (0.52) KCNH2NOS1KDM4EALDH1A1HPGD
SCHEMBL1207127 0.74 NOS2 (0.51) KCNH2NOS1KDM4EALDH1A1HPGD
SCHEMBL12153420 0.74
SCHEMBL17898214 0.74 KCNH2 (0.52) KCNH2NOS1DHFRKDM4EALDH1A1

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 17 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-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
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-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
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 KCNH2 3468/4885NOS1 3586/4885GRM4 4330/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885NOS1 2645/4885GRM4 4176/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885NOS1 2645/4885GRM4 4176/4885

“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.