SCHEMBL19476103

SCHEMBL19476103

COc1ccccc1NC(=O)C1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 2/20 0.61
ALOX15 P16050 1/20 0.61
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
KDM4E B2RXH2 3/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8419535 0.85 KDM4E (0.52) SMN1; SMN2TSHRALOX15KDM4EKMT2A
SCHEMBL19476117 0.84 GAA (0.65) SMN1; SMN2TSHRKDM4EPKMMAPK1
SCHEMBL10522417 0.83 KDM4E (0.65) SMN1; SMN2TSHRKDM4EKMT2APOLB
SCHEMBL17676978 0.82 SCN4A (0.51) ALDH1A1L3MBTL1
SCHEMBL10327019 0.82 SCN4A (0.51) ALDH1A1L3MBTL1
SCHEMBL10326402 0.82 SCN4A (0.51) ALDH1A1L3MBTL1
SCHEMBL1294947 0.81 HDAC2 (0.60) ALDH1A1
SCHEMBL1294945 0.81 HDAC2 (0.60) ALDH1A1
SCHEMBL7692266 0.80 HDAC2 (0.50) SMN1; SMN2TSHRALDH1A1
SCHEMBL7692271 0.80 HDAC2 (0.50) SMN1; SMN2TSHRALDH1A1

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 3 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
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 SMN1; SMN2 4066/4885TSHR 190/4885ALOX15 312/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 SMN1; SMN2 4066/4885TSHR 190/4885ALOX15 312/4885

“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.