SCHEMBL5113909

SCHEMBL5113909

COC(=O)c1cn(Cc2ccc(F)cc2)c(=O)c2c(OCc3ccccc3)c3n(c12)CCN(C)C3=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
FSCN1 Q16658 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TOP1 P11387 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
FAAH O00519 1/20 0.35
ABHD12 Q8N2K0 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 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
SCHEMBL4750105 0.85 FSCN1 (0.39) SMN1; SMN2FSCN1L3MBTL1KDM4EKMT2A
SCHEMBL4750000 0.82 FSCN1 (0.43) SMN1; SMN2FSCN1KDM4ETOP1
SCHEMBL3989708 0.78 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBRECQLLMNA
SCHEMBL3982263 0.78 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBRECQLLMNA
SCHEMBL3982232 0.78 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1KMT2APOLBRECQL
SCHEMBL4746270 0.77 SCD (0.40) SMN1; SMN2FSCN1KMT2AALDH1A1HPGD
SCHEMBL3981450 0.77 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KMT2APOLBRECQL
SCHEMBL3987185 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBRECQLLMNA
SCHEMBL3985459 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KDM4EPOLBRECQL
SCHEMBL3991465 0.77 ALDH1A1 (0.37) SMN1; SMN2L3MBTL1KMT2APOLBRECQL

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 SMN1; SMN2 3773/4885FSCN1 4879/4885L3MBTL1 773/4885

“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.