SCHEMBL756645

SCHEMBL756645

Cc1nc(=O)c(OCc2ccccc2)c(-c2ccc(Cc3ccc(F)cc3)cn2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL6814968 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL16925406 0.84 PLA2G2A (0.36) SMN1; SMN2MAPTHTTCYP4F2CYP4A11
SCHEMBL755074 0.79 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL6810304 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHPGDPOLBBRD4
SCHEMBL13680324 0.65 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL13850950 0.65 LMNA (0.44) ALDH1A1TSHRUSP2MAPK1HPGD
SCHEMBL3845832 0.65 LMNA (0.39) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12725710 0.65 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL755427 0.64 SCN9A (0.34) ALDH1A1HPGDMAPTHTTMEN1
SCHEMBL13850959 0.64 MAOB (0.41) SMN1; SMN2MAPK1POLBLMNAMAPT

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 15 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-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-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-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
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 SMN1; SMN2 3953/4885ALDH1A1 658/4885CYP1A2 1120/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885ALDH1A1 424/4885CYP1A2 875/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885ALDH1A1 424/4885CYP1A2 875/4885

“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.