Sugi Predict

Sugi Predict / Compounds / SCHEMBL21391283

SCHEMBL21391283

SCHEMBL21391283

CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)CNC(=O)c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP2D6 P10635 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL22221563 0.79 CYP1A2 (0.89) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL23014252 0.77 TSHR (0.64) ALDH1A1LMNAHTTTSHRSMN1; SMN2
Picafibrate SCHEMBL2109083 0.75 SMN1; SMN2 (0.65) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2610067 0.75 CYP1A2 (0.81) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL22221581 0.74 CYP1A2 (0.88) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL21389593 0.73 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL28583981 0.73 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL11367454 0.73 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9772021 0.73 CYP1A2 (0.63) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL24696436 0.73 CYP1A2 (0.60) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6

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 CYP3A4 283/4885CYP1A2 167/4885CYP2C9 438/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 CYP3A4 283/4885CYP1A2 167/4885CYP2C9 438/4885

“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.