SCHEMBL19476172

SCHEMBL19476172

O=S(=O)(c1cccnc1)c1ccc2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.58
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 1/20 0.46
SLC40A1 Q9NP59 3/20 0.45
NAPRT Q6XQN6 1/20 0.45
GLO1 Q04760 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL19476154 0.86 NAMPT (0.71) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9232776 0.78 NAPRT (0.68) NAMPTALDH1A1SLC40A1NAPRTGLO1
SCHEMBL31404866 0.78 NAPRT (0.68) NAMPTALDH1A1SLC40A1NAPRTGLO1
SCHEMBL7816978 0.76 LMNA (0.56) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL1770579 0.76 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL11421212 0.76 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL6443612 0.76 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL17442655 0.76 ALDH1A1 (0.58) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL29819245 0.76 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4118811 0.76 ALDH1A1 (0.55) NAMPTALDH1A1SMN1; SMN2LMNANPC1

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.