SCHEMBL5139036

SCHEMBL5139036

C=CCN(Cc1ccc(F)c(Cl)c1)C(=O)c1c(OCc2ccccc2)c2n(c1Br)CCN(C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
RAF1 P04049 2/20 0.34
MAP2K1 Q02750 2/20 0.34
BCHE P06276 5/20 0.33
MAPK1 P28482 1/20 0.33
SCD O00767 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4748890 0.81 S1PR3 (0.41) SCD
SCHEMBL3984184 0.76 KMT2A (0.38) BCHEKMT2AALDH1A1L3MBTL1POLB
SCHEMBL5138918 0.74 LMNA (0.41) KCNH2BCHEKMT2ATDP1ALDH1A1
SCHEMBL3986674 0.74 KMT2A (0.37) KMT2AMAPTL3MBTL1POLB
SCHEMBL16185258 0.73 SCD (0.34) KCNH2SCDKMT2AL3MBTL1
SCHEMBL3984185 0.72 LMNA (0.40) ALDH1A1MAPTL3MBTL1POLBTSHR
SCHEMBL3984614 0.71 AKT1 (0.42) KMT2APOLB
SCHEMBL3987589 0.70 SMN1; SMN2 (0.41) KMT2ATDP1ALDH1A1GAAMAPT
SCHEMBL17537043 0.69 SCD (0.34) KCNH2SCDKMT2AL3MBTL1
SCHEMBL3985345 0.69 SCD (0.37) KCNH2SCD

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-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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 (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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP SLC6A9 4800/4885KCNH2 1318/4885RAF1 724/4885

“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.