SCHEMBL5519504

SCHEMBL5519504

Cc1nnc(CN(C)C(=O)c2cc(C(=O)NCc3ccc(F)cc3)c(O)c(O)n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
THRB P10828 2/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MMP13 P45452 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGER4 P35408 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
SCHEMBL5520117 0.83 KMT2A (0.48) SMN1; SMN2HTTTP53KMT2AATM
SCHEMBL5525595 0.82 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2HTTTHRB
SCHEMBL5528102 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HTTTHRBPOLBKMT2A
SCHEMBL5522924 0.81 POLB (0.41) RAB9ANPC1SMN1; SMN2HTTTHRB
SCHEMBL5517436 0.80 SMN1; SMN2 (0.39) SMN1; SMN2HTTTHRBPOLBTP53
SCHEMBL5518068 0.79 HSP90AA1 (0.40) RAB9ANPC1SMN1; SMN2HTTTHRB
SCHEMBL5515940 0.79 TDP1 (0.41) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL5515190 0.78 LIPG (0.43) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL5521827 0.76 ALDH1A1 (0.53) RAB9ANPC1ATMALDH1A1GAA
SCHEMBL5521910 0.75 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2HTTPOLB

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 RAB9A 2294/4885NPC1 3258/4885SMN1; SMN2 3683/4885

“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.