SCHEMBL5526067

SCHEMBL5526067

CN1CCN(C(=O)c2cc(C(=O)NCc3ccc(F)cc3)c(O)c(O)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.43
PRKAA2 P54646 1/20 0.43
ENPP2 Q13822 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CCR1 P32246 1/20 0.42
POLB P06746 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5518020 0.88 LMNA (0.49) LIPGSMN1; SMN2HTTKMT2AMEN1
SCHEMBL5521772 0.88 KMT2A (0.47) PRKAA2KMT2AGAANPSR1LMNA
SCHEMBL5519879 0.84 KMT2A (0.59) SMN1; SMN2HTTKMT2AMEN1L3MBTL1
SCHEMBL5522017 0.83 POLB (0.48) SMN1; SMN2HTTPRKAA2KMT2AMEN1
SCHEMBL5519046 0.82 PRKAA2 (0.54) PRKAA2GAA
SCHEMBL5521123 0.80 LMNA (0.45) KMT2ATHRBGAANPSR1LMNA
SCHEMBL5517402 0.79 KCNH2 (0.43) KMT2AMEN1POLBGAALMNA
SCHEMBL5528037 0.79 NAMPT (0.48) GAAL3MBTL1
SCHEMBL5528102 0.78 SMN1; SMN2 (0.48) LIPGSMN1; SMN2HTTKMT2APOLB
SCHEMBL5530855 0.78 KMT2A (0.56) SMN1; SMN2HTTKMT2AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101014571-A N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as HIV integrase inhibitors MERCK & CO INC (US) 2007-08-08 CN claimed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US claimed
EP-1713773-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-10-25 EP claimed
WO-2005074513-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-08-18 WO claimed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 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-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors DUT, NQO2, TYMP LIPG 4815/4885SMN1; SMN2 3683/4885HTT 3870/4885

“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.