SCHEMBL4492303

SCHEMBL4492303

CCOC(=O)c1c2c(c(O)c[n+]1[O-])C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL4477958 0.90 MEN1 (0.48) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL1337231 0.89 MEN1 (0.42) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL6031443 0.82 MEN1 (0.37) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4484374 0.80 LMNA (0.49) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL6032283 0.78 MEN1 (0.33) LMNASMN1; SMN2HTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4499510 0.76 LMNA (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL1534083 0.75 MEN1 (0.54) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4477812 0.74 LMNA (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4478189 0.74 LMNA (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4479139 0.74 AKR1B1 (0.35) SMN1; SMN2MEN1KMT2AAKR1B1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H LMNA 4273/4885SMN1; SMN2 4492/4885HTT 930/4885

“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.