SCHEMBL19476108

SCHEMBL19476108

Cc1cccc(C)c1NC(=O)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
THRB P10828 1/20 0.61
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
LCK P06239 2/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.56
HDAC1 Q13547 1/20 0.56
S1PR4 O95977 1/20 0.56
HPGD P15428 1/20 0.55
GPR174 Q9BXC1 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL8291149 0.85 NPC1 (0.67) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL29468637 0.82 RAB9A (0.72) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL7991476 0.81 MAPT (0.68) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL19476177 0.81 KCNJ11 (0.65) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL1868108 0.79 KDM4E (0.61) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL20751769 0.79 RAB9A (0.51) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL28161818 0.79 RAB9A (0.61) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL28006333 0.78 NPC1 (0.65) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL11020534 0.77 POLB (0.54) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL12495837 0.76 NPC1 (1.00) SMN1; SMN2MAPTTHRBRAB9ANPC1

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 SMN1; SMN2 4066/4885MAPT 4463/4885THRB 1297/4885
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 4066/4885MAPT 4463/4885THRB 1297/4885

“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.