SCHEMBL19476620

SCHEMBL19476620

O=C(Nc1ccccc1Oc1ccccc1)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ LMNA P02545 2/20 0.66
▸ TP53 P04637 1/20 0.66
▸ TSHR P16473 3/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ KMT2A Q03164 4/20 0.63
▸ POLB P06746 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ ATM Q13315 1/20 0.56

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
SCHEMBL7125305 0.85 PYGL (0.65) SMN1; SMN2LMNATP53TSHRMAPK1
SCHEMBL6638013 0.82 TSHR (0.73) SMN1; SMN2TP53TSHRMAPK1KMT2A
SCHEMBL27943418 0.79 MAPT (0.67) SMN1; SMN2LMNATSHRMAPK1KMT2A
SCHEMBL3558672 0.76 TSHR (0.69) SMN1; SMN2LMNATP53TSHRMAPK1
SCHEMBL10784048 0.76 ADRA2C (0.68) SMN1; SMN2LMNATSHRMAPK1KMT2A
SCHEMBL18415528 0.76 ADRA2C (0.68) SMN1; SMN2LMNATSHRMAPK1KMT2A
SCHEMBL15528812 0.76 MAPK1 (0.71) SMN1; SMN2TSHRMAPK1KMT2APOLB
SCHEMBL19476619 0.76 RAB9A (0.73) SMN1; SMN2LMNATP53TSHRMAPK1
SCHEMBL6635707 0.75 SMN1; SMN2 (0.69) SMN1; SMN2LMNATP53TSHRMAPK1
SCHEMBL3826083 0.75 ADRA2C (0.71) SMN1; SMN2LMNATSHRMAPK1KMT2A

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 4066/4885LMNA 4664/4885TP53 2426/4885
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 4066/4885LMNA 4664/4885TP53 2426/4885

“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.

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