SCHEMBL11616834

SCHEMBL11616834

O=C(NCc1ccncc1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
NAMPT P43490 13/20 0.81
ROCK2 O75116 1/20 0.78
ROCK1 Q13464 1/20 0.78
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 1/20 0.67
MAOB P27338 1/20 0.67
CA9 Q16790 1/20 0.67
MEN1 O00255 1/20 0.67
TP53 P04637 1/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TAAR1 Q96RJ0 1/20 0.66

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
SCHEMBL5639230 0.93 HTT (0.88) HTTNAMPTROCK2ROCK1NPC1
SCHEMBL20379256 0.93 HTT (0.86) HTTNAMPTROCK2ROCK1NPC1
SCHEMBL20379905 0.90 NAMPT (1.00) HTTNAMPT
SCHEMBL11618171 0.90 HTT (0.81) HTTNAMPTROCK2ROCK1
SCHEMBL4525925 0.88 ROCK2 (1.00) HTTNAMPTROCK2ROCK1
SCHEMBL2831462 0.88 NPC1 (0.77) HTTNAMPTROCK2ROCK1NPC1
SCHEMBL11615046 0.87 HTT (0.76) HTTNAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL11621060 0.87 HTT (0.76) HTTNAMPTROCK2ROCK1NPC1
SCHEMBL13603748 0.87 HTT (0.76) HTTNAMPTROCK2ROCK1NPC1
SCHEMBL20379236 0.86 NAMPT (1.00) HTTNAMPT

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-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US claimed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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 (2 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-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT HTT 1029/4885NAMPT 1/4885ROCK2 2967/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT HTT 1029/4885NAMPT 1/4885ROCK2 2967/4885

“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.