SCHEMBL19476154

SCHEMBL19476154

O=S(=O)(c1ccccc1)c1ccc2ncccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.71
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
BCAT1 P54687 1/20 0.52
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
PABPC1 P11940 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL4267187 0.87 NAMPT (0.56) NAMPTALDH1A1SMN1; SMN2BCAT1NPC1
SCHEMBL19476172 0.86 NAMPT (0.58) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL164852 0.84 NAMPT (1.00) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL17442655 0.79 ALDH1A1 (0.58) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL4668553 0.79 ALDH1A1 (0.53) NAMPTALDH1A1LMNABCAT1KDM4E
SCHEMBL1770579 0.79 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL29819245 0.79 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL6443612 0.79 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL11421212 0.79 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNABCAT1
SCHEMBL7816978 0.79 LMNA (0.56) NAMPTALDH1A1SMN1; SMN2LMNABCAT1

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 NAMPT 3595/4885ALDH1A1 79/4885SMN1; SMN2 4066/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 NAMPT 3595/4885ALDH1A1 79/4885SMN1; SMN2 4066/4885

“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.