SCHEMBL18171828

SCHEMBL18171828

O=C(Cn1c(=O)c2ccccc2n(CC(=O)OCc2ccccc2)c1=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 4/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 2/20 0.52
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL12611486 0.85 GLA (0.62) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL18171802 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL5324208 0.82 ALDH1A1 (0.67) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL10487900 0.82 MEN1 (0.72) LMNAALDH1A1MAPTKDM4EHDAC8
SCHEMBL5320439 0.80 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1TSHRL3MBTL1
SCHEMBL18180338 0.79 APEX1 (0.73) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL7439033 0.77 SMN1; SMN2 (0.64) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL10487883 0.76 HDAC1 (0.64) ALDH1A1MAPTKDM4EHDAC8HDAC6
SCHEMBL10487902 0.75 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETSHRL3MBTL1
SCHEMBL13332552 0.75 MAPT (0.61) SMN1; SMN2ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO 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 (1 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E SMN1; SMN2 2518/4885LMNA 3382/4885ALDH1A1 2545/4885

“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.