SCHEMBL751255

SCHEMBL751255

CC(C)CCNCc1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.35
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MMP3 P08254 1/20 0.33
HDAC1 Q13547 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
TEAD4 Q15561 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL751254 0.85 HPGD (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL753758 0.83 MMP3 (0.38) ALDH1A1TSHRCNR2GPR55MMP3
SCHEMBL755446 0.80 TEAD4 (0.42) KMT2AALDH1A1CNR2GPR55POLB
Dimethylamine SCHEMBL752802 0.79 CNR2 (0.38) ALDH1A1TSHRCNR2GPR55MMP3
SCHEMBL751551 0.79 GAA (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL753407 0.79 HTT (0.49) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL753335 0.79 CNR2 (0.38) KMT2AALDH1A1TSHRCNR2GPR55
SCHEMBL753088 0.78 POLB (0.38) ALDH1A1CNR2GPR55MMP3POLB
SCHEMBL755559 0.78 MMP3 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
Isopropylamine SCHEMBL755786 0.78 CNR2 (0.37) KMT2AALDH1A1CNR2GPR55MMP3

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
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 (1 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-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885MEN1 4775/4885ALDH1A1 424/4885

“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.