SCHEMBL5442124

SCHEMBL5442124

CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1cccc(OC(F)(F)F)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ATM Q13315 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
CHRM5 P08912 1/20 0.37
AMPD2 Q01433 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KCNN4 O15554 2/20 0.36
PKM P14618 1/20 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
SCHEMBL5456052 0.90 PKM (0.43) FEN1ROCK2ROCK1EGLN1PKM
SCHEMBL5438070 0.87 PSEN1 (0.50) FEN1ATMPSEN1PSEN2APH1B
SCHEMBL5445492 0.86 KMT2A (0.40) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL5446724 0.85 SMN1; SMN2 (0.42) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL5445007 0.84 MAPT (0.40) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL5437421 0.81 AKR1B1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5438443 0.80 GAA (0.42) EGLN1
SCHEMBL5446667 0.80 EGLN1 (0.37) EGLN1PSEN1PSEN2APH1BNCSTN
SCHEMBL13672777 0.80 AKR1B1 (0.41)
SCHEMBL5452304 0.80 ALDH1A1 (0.34) EGLN1PKM

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed

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 FEN1 211/4885ROCK2 3289/4885ROCK1 2247/4885

“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.