SCHEMBL5522017

SCHEMBL5522017

O=C(NCc1ccc(F)cc1)c1cc(C(=O)N2CCN(c3ccccn3)CC2)nc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PRKAA2 P54646 1/20 0.45
TP53 P04637 1/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL5526067 0.83 LIPG (0.44) POLBMEN1KMT2ASMN1; SMN2GAA
SCHEMBL5518028 0.81 NAMPT (0.50) KMT2ATP53
SCHEMBL5518020 0.80 LMNA (0.49) MEN1KMT2AMAPK1SMN1; SMN2HTT
SCHEMBL5519046 0.79 PRKAA2 (0.54) ALDH1A1GAAPRKAA2PARP1KDM4E
SCHEMBL5519879 0.79 KMT2A (0.59) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5521772 0.79 KMT2A (0.47) KMT2ATSHRALDH1A1GAAPRKAA2
SCHEMBL5522421 0.78 FAP (0.43) KMT2AALDH1A1SMN1; SMN2HTTTP53
SCHEMBL5530855 0.77 KMT2A (0.56) KMT2AALDH1A1SMN1; SMN2HTTADORA2A
SCHEMBL5520239 0.75 GLA (0.58) MEN1KMT2ATSHRALDH1A1MAPK1
SCHEMBL5528037 0.75 NAMPT (0.48) GAANPC1RAB9A

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
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 POLB 330/4885MEN1 4433/4885KMT2A 469/4885

“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.