SCHEMBL21391314

SCHEMBL21391314

Nc1ccc(C(=O)CNC(=O)c2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
PLOD2 O00469 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
ROCK2 O75116 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL21378834 0.81 MAPT (0.65) THRBCYP2C9MEN1KMT2AMAPT
SCHEMBL1687071 0.80 THRB (0.73) THRBCYP3A4CYP2C9HDAC1HDAC6
SCHEMBL2817973 0.80 THRB (0.59) THRBPLOD2KMT2ARAB9AMAPT
SCHEMBL23014252 0.80 TSHR (0.64) THRBPLOD2MEN1KMT2ANPC1
SCHEMBL14212112 0.80 ALDH1A1 (0.62) THRBCYP3A4CYP2C9MEN1KMT2A
Nicotinuric Acid SCHEMBL351962 0.79 THRB (0.75) THRBPLOD2CYP3A4CYP2C9HDAC1
Nicotinuric Acid SCHEMBL30183567 0.79 THRB (0.75) THRBPLOD2CYP3A4CYP2C9HDAC1
SCHEMBL3864600 0.79 THRB (0.75) THRBCYP3A4CYP2C9HDAC1HDAC6
N-Hydroxymethylnicotinamide SCHEMBL352358 0.78 THRB (1.00) THRBCYP3A4CYP2C9HDAC1HDAC6
SCHEMBL10168025 0.78 THRB (0.56) THRBCYP3A4CYP2C9MEN1KMT2A

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 THRB 1938/4885PLOD2 839/4885CYP3A4 283/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 THRB 1938/4885PLOD2 839/4885CYP3A4 283/4885

“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.