SCHEMBL5528102

SCHEMBL5528102

CN(C)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAOB P27338 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 3/20 0.42
PTGER2 P43116 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL5520117 0.86 KMT2A (0.48) SMN1; SMN2HTTKMT2ACYP1A2CYP2C19
SCHEMBL5530855 0.83 KMT2A (0.56) SMN1; SMN2HTTKMT2ACYP1A2CYP2C19
SCHEMBL5522924 0.82 POLB (0.41) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5518068 0.82 HSP90AA1 (0.40) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5525595 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5519504 0.81 RAB9A (0.44) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5515940 0.81 TDP1 (0.41) SMN1; SMN2HTTKMT2ACYP1A2CYP2C19
SCHEMBL5517436 0.81 SMN1; SMN2 (0.39) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5525391 0.81 CYP2C9 (0.46) SMN1; SMN2HTTPOLBTHRBL3MBTL1
SCHEMBL5515190 0.81 LIPG (0.43) SMN1; SMN2HTTKMT2ALIPG

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 4 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 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 SMN1; SMN2 3683/4885HTT 3870/4885POLB 330/4885

“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.