SCHEMBL755776

SCHEMBL755776

O=C(O)c1occ(Br)c(=O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
DHODH Q02127 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
EDNRA P25101 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 2/20 0.39
PLAUR Q03405 1/20 0.39
MAPT P10636 1/20 0.39
SRD5A2 P31213 1/20 0.38
KCNA2 P16389 1/20 0.38
KCNA5 P22460 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
SCHEMBL754349 0.87 LMNA (0.50) THRATHRBDHODHLMNAGAA
SCHEMBL4545475 0.85 LMNA (0.43) THRATHRBLMNAGAAMEN1
SCHEMBL425183 0.84 MAOB (0.45) THRATHRBLMNAGAANR4A2
SCHEMBL10188415 0.81 MAOB (0.46) LMNAGAANR4A2NR4A1NR4A3
SCHEMBL10635645 0.81 RXRA (0.47) LMNAGAAEDNRAMEN1KMT2A
SCHEMBL16921618 0.80 LMNA (0.58) THRATHRBLMNAGAAMEN1
SCHEMBL23604821 0.79 LMNA (0.50) LMNAGAAEDNRAMEN1KMT2A
SCHEMBL4321651 0.78 SENP5 (0.48) THRATHRBSMN1; SMN2
SCHEMBL19334690 0.77 MAOB (0.52) LMNAGAAEDNRAMEN1KMT2A
SCHEMBL755271 0.77 PTGER1 (0.38) THRATHRBLMNAMEN1KMT2A

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 11 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-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 THRA 3581/4885THRB 3764/4885DHODH 54/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI THRA 3617/4885THRB 3798/4885DHODH 81/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI THRA 3617/4885THRB 3798/4885DHODH 81/4885

“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.