Aniline

Aniline

SCHEMBL752234

Nc1ccccc1.O=C(O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PTGS1 P23219 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP3 P08254 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL753088 0.92 POLB (0.38) ALDH1A1POLBUSP2MMP3MMP12
Methylamine SCHEMBL753441 0.91 CNR2 (0.38) ALDH1A1POLBKDM4EUSP2CSNK2A2
Benzylamine SCHEMBL754738 0.91 POLB (0.38) ALDH1A1POLBKDM4EUSP2CSNK2A2
Isopropylamine SCHEMBL755786 0.89 CNR2 (0.37) ALDH1A1POLBKMT2AMMP3MMP12
Ethylamine SCHEMBL753922 0.89 CNR2 (0.37) ALDH1A1POLBKDM4EUSP2CSNK2A2
Dimethylamine SCHEMBL752802 0.89 CNR2 (0.38) ALDH1A1POLBUSP2MMP3MMP12
SCHEMBL754737 0.84 ALDH1A1 (0.48) ALDH1A1POLBKDM4EUSP2KMT2A
SCHEMBL752233 0.82 MAPT (0.48) ALDH1A1POLBKDM4EKMT2ATEAD4
SCHEMBL753407 0.80 HTT (0.49) ALDH1A1POLBKDM4EKMT2ACNR2
SCHEMBL755446 0.79 TEAD4 (0.42) ALDH1A1POLBKDM4EUSP2KMT2A

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 ALDH1A1 658/4885POLB 89/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885KDM4E 382/4885

“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.