SCHEMBL754056

SCHEMBL754056

CCOC(=O)c1ncc(Cc2ccc(F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL553924 0.86 KLKB1 (0.48) ALDH1A1KMT2AKDM4ENPSR1HPGD
SCHEMBL27765053 0.82 NPSR1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10290772 0.82 NPSR1 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL756483 0.80 P4HTM (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4677310 0.79 HDAC4 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6819068 0.78 FAAH (0.49) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL759556 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL23011570 0.78 MAPK1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13351713 0.78 KLKB1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL756599 0.77 NPSR1 (0.70) ALDH1A1MEN1KMT2AKDM4EMAPT

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 12 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
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
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
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 (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.