SCHEMBL5330099

SCHEMBL5330099

O=C(NCc1ccccc1)c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 1.00
MAOB P27338 4/20 0.74
CNR1 P21554 2/20 0.67
CNR2 P34972 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
HPGD P15428 3/20 0.66
ALDH1A1 P00352 2/20 0.66
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
ROCK2 O75116 1/20 0.65
TP53 P04637 1/20 0.64
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPT P10636 3/20 0.60
LMNA P02545 2/20 0.60

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
SCHEMBL28238554 0.89 L3MBTL1 (0.80) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL14345990 0.89 L3MBTL1 (0.80) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL18641957 0.87 L3MBTL1 (0.76) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL17903693 0.83 L3MBTL1 (0.70) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL6998874 0.83 L3MBTL1 (0.71) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL14345980 0.83 L3MBTL1 (0.70) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL3261601 0.83 MAOB (0.78) L3MBTL1MAOBSMN1; SMN2ALDH1A1ROCK2
SCHEMBL5325540 0.82 L3MBTL1 (0.70) L3MBTL1MAOBCNR1CNR2SMN1; SMN2
SCHEMBL13457652 0.80 ROCK2 (1.00) L3MBTL1MAOBROCK2MAPTSNCA
SCHEMBL210149 0.80 SMN1; SMN2 (0.67) L3MBTL1MAOBCNR1CNR2SMN1; SMN2

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 5 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
WO-2007138112-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 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 L3MBTL1 4182/4885MAOB 97/4885CNR1 126/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 L3MBTL1 4182/4885MAOB 97/4885CNR1 126/4885

“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.