SCHEMBL759556

SCHEMBL759556

CCOC(=O)c1cnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
ALOX12 P18054 1/20 0.48
CCR6 P51684 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL21332936 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL27861595 0.82 NPSR1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL16921566 0.81 NPSR1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1912564 0.81 NLRP3 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL756599 0.80 NPSR1 (0.70) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL754085 0.79 NPSR1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27686080 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL754056 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4677310 0.78 HDAC4 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8533449 0.78 NLRP3 (0.44) ALDH1A1KDM4EHPGDHDAC4HDAC6

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
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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-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

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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MEN1 4775/4885KMT2A 667/4885

“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.