SCHEMBL21391312

SCHEMBL21391312

CC(=O)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.71
ROCK1 Q13464 1/20 0.71
RAB9A P51151 8/20 0.69
NPC1 O15118 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
TP53 P04637 2/20 0.69
LMNA P02545 1/20 0.69
HIF1A Q16665 1/20 0.69
TDP1 Q9NUW8 2/20 0.68
NPSR1 Q6W5P4 2/20 0.66
MAPT P10636 1/20 0.66
GFER P55789 1/20 0.66
NAMPT P43490 2/20 0.66
GAA P10253 1/20 0.64
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 1/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.62

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
SCHEMBL22983024 0.86 ROCK2 (0.69) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL7329481 0.86 ROCK2 (0.73) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL1971026 0.86 NAMPT (0.78) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL12078341 0.86 NAMPT (0.77) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL14880158 0.85 RAB9A (0.70) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL29596226 0.84 ROCK2 (0.71) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL6602214 0.84 ROCK2 (0.71) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL3093627 0.84 ROCK2 (0.71) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL5384036 0.84 ROCK2 (0.76) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
Nicotinanilide SCHEMBL352439 0.83 LMNA (0.83) ROCK2ROCK1RAB9ANPC1SMN1; SMN2

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-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2020-05-12 US disclosed
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2019-09-26 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-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment LIPC, CYP27A1, HSD17B10 ROCK2 3391/4885ROCK1 3055/4885RAB9A 4025/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 ROCK2 3391/4885ROCK1 3055/4885RAB9A 4025/4885

“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.