SCHEMBL5517436

SCHEMBL5517436

CN(Cc1cncs1)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL14452637 0.87 ALDH1A1 (0.45) SMN1; SMN2HTTPOLBTHRBALDH1A1
SCHEMBL5520117 0.83 KMT2A (0.48) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL16160323 0.82 ERCC1 (0.41) SMN1; SMN2HTTALDH1A1NPSR1KDM4E
SCHEMBL5515940 0.82 TDP1 (0.41) SMN1; SMN2HTTNPSR1KMT2AHPGD
SCHEMBL5528102 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HTTPOLBTHRBKMT2A
SCHEMBL5522924 0.81 POLB (0.41) SMN1; SMN2HTTPOLBTHRBALDH1A1
SCHEMBL5519504 0.80 RAB9A (0.44) SMN1; SMN2HTTPOLBTHRBALDH1A1
SCHEMBL5525595 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTPOLBTHRBALDH1A1
SCHEMBL5521827 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EATM
SCHEMBL5518068 0.79 HSP90AA1 (0.40) SMN1; SMN2HTTPOLBTHRBMAPT

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-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
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO 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.