Sugi Predict

Sugi Predict / Compounds / SCHEMBL19476115

SCHEMBL19476115

SCHEMBL19476115

CC(C)c1cccc(C(C)C)c1NC(=O)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PSMB8 P28062 2/20 0.46
▸ SCN4A P35499 1/20 0.44
▸ CTSC P53634 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KHK P50053 1/20 0.42
▸ TERT O14746 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
SCHEMBL18485520 0.82 SCN4A (0.56) KMT2AMEN1LMNASMN1; SMN2PSMB8
Hydrochloric Acid SCHEMBL28152183 0.81 SCN4A (0.55) KMT2AMEN1LMNASMN1; SMN2PSMB8
SCHEMBL3261012 0.78 EPHX1 (0.51) KMT2AMEN1LMNASMN1; SMN2SCN4A
SCHEMBL27284878 0.78 ALDH1A1 (0.57) KMT2ALMNA
SCHEMBL15428917 0.78 EPHX1 (0.51) KMT2AMEN1LMNASMN1; SMN2SCN4A
SCHEMBL2616379 0.78 EPHX1 (0.51) KMT2AMEN1LMNASMN1; SMN2SCN4A
SCHEMBL28151958 0.77 SCN4A (0.43) KMT2AMEN1LMNAPSMB8SCN4A
Propofol SCHEMBL2678239 0.77 SLC6A2 (0.49) LMNASCN4ACTSCCYP1A2CYP3A4
SCHEMBL22305262 0.77 EPHX1 (0.54) KMT2AMEN1LMNASMN1; SMN2SCN4A
SCHEMBL21026527 0.77 PSMB8 (0.54) KMT2AMEN1SMN1; SMN2PSMB8TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 — — US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 — — US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 — — EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 — — WO 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 KMT2A 1850/4885MEN1 3912/4885TDP1 4832/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 KMT2A 1850/4885MEN1 3912/4885TDP1 4832/4885

“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.