Sugi Predict

Sugi Predict / Compounds / SCHEMBL3908175

SCHEMBL3908175

SCHEMBL3908175

O=C1CN(Cc2c(O)c(O)c3n(c2=O)CCN(Cc2ccc(F)cc2)C3=O)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRM2 Q14416 2/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ CLPP Q16740 2/20 0.38
▸ MCHR1 Q99705 3/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3903227 0.84 KCNH2 (0.38) ALDH1A1POLBGRM2KCNH2CLPP
SCHEMBL3902851 0.83 MCHR1 (0.42) ALDH1A1POLBGRM2KCNH2MCHR1
SCHEMBL2900410 0.79 ALDH1A1 (0.40) ALDH1A1POLBGRM2KCNH2AKR1B1
SCHEMBL3901489 0.77 KCNH2 (0.41) ALDH1A1POLBGRM2KCNH2MCHR1
SCHEMBL3910510 0.76 POLB (0.37) ALDH1A1POLBGRM2KCNH2AKR1B1
SCHEMBL4748942 0.75 ALDH1A1 (0.61) ALDH1A1POLBGRM2MCHR1MEN1
SCHEMBL3901468 0.75 KCNH2 (0.45) ALDH1A1POLBGRM2KCNH2AKR1B1
SCHEMBL3902833 0.75 GRM2 (0.47) ALDH1A1POLBGRM2KCNH2AKR1B1
SCHEMBL3904439 0.75 GRM2 (0.50) ALDH1A1POLBGRM2KCNH2AKR1B1
SCHEMBL3902856 0.75 ALDH1A1 (0.41) ALDH1A1POLBGRM2CLPPMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US claimed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US claimed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A ALDH1A1 451/4885POLB 330/4885GRM2 4391/4885

“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.