SCHEMBL12841908

SCHEMBL12841908

CCCNCc1cnc(CC)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
AR P10275 1/20 0.31
SRC P12931 1/20 0.31
KCNJ1 P48048 1/20 0.31

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
SCHEMBL12841667 0.91 HRH4 (0.37) SMN1; SMN2KMT2AL3MBTL1HPGDCYP1A2
SCHEMBL12842028 0.86 KDM4E (0.37) MEN1KMT2AHTR2ASCN8ASRC
SCHEMBL12841895 0.86 PRKCQ (0.38) L3MBTL1HTR2AALDH1A1SCN8APDE10A
SCHEMBL19937086 0.85 NOS3 (0.33) NOS3NOS1SMN1; SMN2HTR2ASCN8A
SCHEMBL12841856 0.85 SMN1; SMN2 (0.42) NOS3NOS1SMN1; SMN2MEN1KMT2A
SCHEMBL12841907 0.84 LOXL2 (0.39) SMN1; SMN2MEN1KMT2AL3MBTL1HPGD
SCHEMBL12841912 0.83 KDM4E (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1HPGD
SCHEMBL12842054 0.82 CHEK1 (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1HPGD
SCHEMBL12772513 0.82 CDK1 (0.35) NOS3NOS1SMN1; SMN2HTR2AAR
SCHEMBL7215762 0.82 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 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-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 NOS3 1041/4885NOS1 915/4885SMN1; SMN2 1455/4885

“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.