SCHEMBL22356152

SCHEMBL22356152

NCc1oc(=O)oc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2D6 P10635 1/20 0.40
DDR2 Q16832 1/20 0.39
NOTUM Q6P988 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DPP4 P27487 1/20 0.35
NR4A2 P43354 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL5492196 0.81 ADORA3 (0.39) KDM4EALDH1A1CYP3A4DDR2NR4A2
SCHEMBL7128881 0.81 PTGS1 (0.43) KDM4EALDH1A1CYP3A4CYP2C19CYP2E1
SCHEMBL2721048 0.81 KDM4E (0.35) KDM4EALDH1A1CYP3A4CYP2C19DDR2
SCHEMBL2719464 0.81 TDO2 (0.42) KDM4ECYP3A4DDR2NOTUMNR4A2
SCHEMBL48083 0.79 KDM4E (0.44) KDM4EALDH1A1CYP3A4DDR2NOTUM
SCHEMBL2721281 0.78 NR4A2 (0.49) KDM4ECYP3A4CYP2C19NR4A2KMT2A
SCHEMBL11264544 0.78 TDP1 (0.38) KDM4EALDH1A1CYP3A4CYP2C19DDR2
SCHEMBL15161586 0.77 ABCG2 (0.41) KDM4EALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL2721043 0.75 TSHR (0.41) KDM4EALDH1A1CYP2C19CYP2C9CYP2D6
SCHEMBL5172009 0.74 ADORA3 (0.34) KDM4EALDH1A1CYP3A4CYP2C19CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug SHIONOGI & CO., LTD. (JP) 2021-06-22 US disclosed
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG SHIONOGI & CO., LTD. (JP) 2020-08-20 US 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-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG RNASEH1, RNASEL, RNPEP KDM4E 1312/4885ALDH1A1 1075/4885CYP3A4 850/4885
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug RNASEH1, RNPEP, RNASEL KDM4E 1205/4885ALDH1A1 1153/4885CYP3A4 584/4885

“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.