SCHEMBL19476177

SCHEMBL19476177

Cc1ccc2ccccc2c1NC(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.65
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LCK P06239 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
SCHEMBL19476108 0.81 SMN1; SMN2 (0.61) KMT2AMEN1SMN1; SMN2MAPTTHRB
SCHEMBL18415509 0.77 TSHR (0.48) KCNJ11KMT2AMEN1KDM4EALDH1A1
SCHEMBL6374171 0.77 TSHR (0.48) KCNJ11KMT2AMEN1ALDH1A1TSHR
SCHEMBL20194455 0.76 KCNJ11 (0.59) KCNJ11KMT2AMEN1MAPTKDM4E
SCHEMBL30640474 0.76 KCNJ11 (0.59) KCNJ11KMT2AMEN1MAPTKDM4E
SCHEMBL29840075 0.74 GAA (0.56) KCNJ11KMT2AMEN1KDM4EALDH1A1
SCHEMBL1954044 0.74 GAA (0.56) KCNJ11KMT2AMEN1KDM4EALDH1A1
SCHEMBL19476175 0.73 NPC1 (0.52) KMT2ASMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL31465686 0.73 KCNJ11 (0.46) KCNJ11KMT2AMEN1MAPTALDH1A1
SCHEMBL7991476 0.73 MAPT (0.68) KMT2AMEN1SMN1; SMN2MAPTTHRB

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 KCNJ11 3132/4885KMT2A 1850/4885MEN1 3912/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 KCNJ11 3132/4885KMT2A 1850/4885MEN1 3912/4885

“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.