SCHEMBL756733

SCHEMBL756733

Cc1nc(-c2cc(=O)c3c(OCc4ccc(F)cc4)cccc3o2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BRD4 O60885 2/20 0.49
AR P10275 3/20 0.47
ABCG2 Q9UNQ0 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
ABCB1 P08183 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2486552 0.83 BCHE (0.53) BCHEACHEBRD4ARABCG2
SCHEMBL6807340 0.83 BCHE (0.57) BCHEACHEBRD4ARABCG2
SCHEMBL757327 0.80 BRD4 (0.47) BCHEACHEBRD4ABCG2POLB
SCHEMBL752572 0.79 BCHE (0.50) BCHEACHEBRD4ARABCG2
SCHEMBL757274 0.77 BCHE (0.50) BCHEACHEBRD4ARABCG2
SCHEMBL6896786 0.76 BCHE (0.52) BCHEACHEBRD4ARABCG2
SCHEMBL6896780 0.70 BRD4 (0.43) BCHEACHEBRD4ARABCG2
SCHEMBL753327 0.68 AR (0.47) BCHEACHEARABCG2HPGD
SCHEMBL15619737 0.68 BCHE (0.66) BCHEACHEARABCG2HPGD
SCHEMBL16921594 0.67 BRD4 (0.58) BCHEACHEBRD4ARHPGD

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
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

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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT BCHE 2050/4885ACHE 2914/4885BRD4 586/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCHE 1478/4885ACHE 1249/4885BRD4 427/4885

“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.