SCHEMBL753699

SCHEMBL753699

COC1=C(C(=O)c2ccc(Cc3ccc(F)cc3C(N)=O)o2)CN(C(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PARP1 P09874 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
BTK Q06187 1/20 0.31
MCHR1 Q99705 2/20 0.31
PARP2 Q9UGN5 1/20 0.30
KCNH2 Q12809 1/20 0.30
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30

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
SCHEMBL756687 0.93 ALDH1A1 (0.33) ALDH1A1POLBHTT
SCHEMBL752332 0.92 HTT (0.36) ALDH1A1POLBHTTLMNA
SCHEMBL751997 0.88 ALDH1A1 (0.33) ALDH1A1POLBPARP1PARP2
SCHEMBL755075 0.88 ALDH1A1 (0.33) ALDH1A1POLBHTT
SCHEMBL754297 0.86 ALDH1A1 (0.40) ALDH1A1POLBHTTLMNA
SCHEMBL754197 0.85 POLB (0.32) ALDH1A1POLB
SCHEMBL756515 0.83 CYP2C9 (0.36) ALDH1A1POLBHTTLMNA
SCHEMBL753182 0.82 HTT (0.37) ALDH1A1POLBHTTLMNA
SCHEMBL752749 0.80 KCNH2 (0.34) ALDH1A1POLBHTTMCHR1KCNH2
SCHEMBL751193 0.78 PARP1 (0.33) ALDH1A1POLBPARP1LMNAPARP2

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 4 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-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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 424/4885POLB 107/4885HTR2A 2708/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885HTR2A 2708/4885

“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.