SCHEMBL5521772

SCHEMBL5521772

O=C(NCc1ccc(F)cc1)c1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)nc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKAA2 P54646 2/20 0.44
TSHR P16473 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5521123 0.89 LMNA (0.45) KMT2ALMNATP53CNR2KDM4E
SCHEMBL5526067 0.88 LIPG (0.44) KMT2ALMNATP53NPSR1GAA
SCHEMBL5532934 0.84 PARP1 (0.45) KMT2ALMNATP53CNR2KDM4E
SCHEMBL5751787 0.84 KMT2A (0.50) KMT2ALMNATP53CNR2KDM4E
SCHEMBL5518020 0.82 LMNA (0.49) KMT2ALMNACYP3A4CYP2C9CYP2C19
SCHEMBL5519046 0.81 PRKAA2 (0.54) KDM4EALDH1A1HPGDRECQLGAA
SCHEMBL5522017 0.79 POLB (0.48) KMT2ALMNATP53KDM4EALDH1A1
SCHEMBL5120491 0.79 CD274 (0.54) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5116220 0.79 CD274 (0.54) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5519413 0.79 LMNA (0.48) KMT2ALMNATP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 469/4885LMNA 2213/4885TP53 3029/4885

“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.