Benzylamine

Benzylamine

SCHEMBL754738

NCc1ccccc1.O=C(O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.36
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
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 2/20 0.35
IDH1 O75874 1/20 0.34
MMP3 P08254 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 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) POLBALDH1A1USP2CNR2GPR55
Aniline SCHEMBL752234 0.91 ALDH1A1 (0.38) POLBALDH1A1KDM4EUSP2CSNK2A2
Ethylamine SCHEMBL753922 0.91 CNR2 (0.37) POLBALDH1A1KDM4EUSP2CSNK2A2
Methylamine SCHEMBL753441 0.91 CNR2 (0.38) POLBALDH1A1KDM4EUSP2CSNK2A2
Isopropylamine SCHEMBL755786 0.89 CNR2 (0.37) POLBALDH1A1CNR2GPR55KMT2A
Dimethylamine SCHEMBL752802 0.88 CNR2 (0.38) POLBALDH1A1USP2CNR2GPR55
Benzylamine SCHEMBL752164 0.85 MAPT (0.40) POLBKMT2AGPR35NR4A2LMNA
SCHEMBL754737 0.85 ALDH1A1 (0.48) POLBALDH1A1TP53KDM4EUSP2
SCHEMBL752233 0.82 MAPT (0.48) POLBALDH1A1TP53KDM4EKMT2A
SCHEMBL752918 0.80 MAPT (0.43) POLBALDH1A1KMT2ANR4A2LMNA

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 POLB 89/4885ALDH1A1 658/4885TP53 1493/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885TP53 948/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885TP53 948/4885

“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.