Sugi Predict

Sugi Predict / Compounds / SCHEMBL5138918

SCHEMBL5138918

SCHEMBL5138918

C=CCN(C)C(=O)c1c(OCc2ccccc2)c2n(c1Br)CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ HTT P42858 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL5114056 0.91 LMNA (0.40) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL4744605 0.82 LMNA (0.45) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL3982597 0.82 LMNA (0.44) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL16185258 0.79 SCD (0.34) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL5139509 0.76 NPC1 (0.37) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL17537043 0.76 SCD (0.34) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL3984184 0.74 KMT2A (0.38) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL5139036 0.74 SLC6A9 (0.34) L3MBTL1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL3985585 0.73 LMNA (0.44) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A
SCHEMBL3986674 0.73 KMT2A (0.37) LMNASMN1; SMN2L3MBTL1NCOA3KMT2A

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-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 — — US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 — — US disclosed
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
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 — — 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 LMNA 2784/4885SMN1; SMN2 3773/4885L3MBTL1 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.