SCHEMBL752955

SCHEMBL752955

COC1=C(C(=O)NNC(=O)Cc2ccc(F)cc2)CN(C(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KLK7 P49862 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10290260 0.77 KLK7 (0.34) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL754297 0.74 ALDH1A1 (0.40) HTTCYP2D6CYP2C9CYP2C19POLB
SCHEMBL16921567 0.72 HSD17B2 (0.38) HTTSMN1; SMN2LMNAKMT2ATDP1
SCHEMBL2489691 0.71 NPSR1 (0.40) POLBSMN1; SMN2LMNAKMT2ATDP1
SCHEMBL753797 0.70 P2RX3 (0.31) LMNA
SCHEMBL18590764 0.69 GAA (0.38) HTTCYP2C9SMN1; SMN2LMNAKDM4E
SCHEMBL755075 0.68 ALDH1A1 (0.33) HTTPOLBALDH1A1
SCHEMBL752332 0.67 HTT (0.36) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL753149 0.67 MEN1 (0.44) CYP3A4PLAUELANESMN1; SMN2LMNA
SCHEMBL10290257 0.66 LIPG (0.38) HTTCYP3A4CYP2D6CYP2C9CYP2C19

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 7 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-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

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 HTT 4541/4885CYP3A4 481/4885CYP2D6 747/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885CYP3A4 481/4885CYP2D6 747/4885

“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.