SCHEMBL2992641

SCHEMBL2992641

O=C(NC1CC1)c1ccc(Cl)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.55
RAB9A P51151 2/20 0.51
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX7 Q99572 1/20 0.48
MAPK8 P45983 1/20 0.46
HPGD P15428 1/20 0.46
CNR1 P21554 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
CNR2 P34972 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42

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
SCHEMBL2992551 0.83 KMT2A (0.50) RAB9AKMT2AGAAMEN1SMN1; SMN2
SCHEMBL30698182 0.79 SLC6A12 (0.66) SLC6A12RAB9AKMT2AGAAMEN1
SCHEMBL12936046 0.79 SLC6A12 (0.66) SLC6A12RAB9AKMT2AGAAMEN1
SCHEMBL2991624 0.77 ALDH1A1 (0.57) RAB9AKMT2AGAAMEN1SMN1; SMN2
SCHEMBL27559746 0.77 ALDH1A1 (0.46) RAB9AKMT2AGAAMEN1SMN1; SMN2
SCHEMBL7944353 0.73 CNR2 (0.54) RAB9AKMT2ANPC1P2RX7CNR1
SCHEMBL1015071 0.73 PDE4B (0.68) LMNA
SCHEMBL1970134 0.72 SLC6A12 (0.62) SLC6A12RAB9AKMT2AGAAMEN1
SCHEMBL90320 0.72 RAB9A (0.88) RAB9AKMT2AGAAMEN1SMN1; SMN2
SCHEMBL2982729 0.71 CNR1 (0.51) RAB9AKMT2AGAAMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SLC6A12 702/4885RAB9A 2122/4885KMT2A 3206/4885

“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.