SCHEMBL3302135

SCHEMBL3302135

O=[N+]([O-])c1cccc2c1ccn2-c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
RPS6KA5 O75582 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 4/20 0.45
PDE10A Q9Y233 1/20 0.44
HSP90AA1 P07900 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL29961325 1.00 POLB (0.50) POLBNCOA1NCOA3RPS6KA5TDP1
SCHEMBL5095943 0.75 GAA (0.42) POLBTDP1ALDH1A1PDE10AHSP90AA1
SCHEMBL15911087 0.74 GAA (0.46) POLBTDP1ALDH1A1HSP90AA1GAA
SCHEMBL28901199 0.72 RPS6KA5 (0.53) RPS6KA5ALDH1A1HSP90AA1NPC1MAPT
SCHEMBL28294148 0.72 TDP1 (0.53) POLBNCOA1NCOA3TDP1ALDH1A1
SCHEMBL29961184 0.72 RPS6KA5 (0.53) RPS6KA5TDP1ALDH1A1HSP90AA1LMNA
SCHEMBL11223006 0.72 TDP1 (0.53) POLBTDP1ALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL28296005 0.72 TDP1 (0.53) POLBNCOA1NCOA3TDP1ALDH1A1
SCHEMBL28256635 0.72 TDP1 (0.53) POLBNCOA1NCOA3TDP1ALDH1A1
SCHEMBL2475315 0.72 GAA (0.66) POLBTDP1ALDH1A1KDM4ESMN1; 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
CN-109678810-B 1,2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof 南京工业大学 2022-10-28 CN claimed
CN-109678810-B 1,2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof 南京工业大学 2022-10-28 CN disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 POLB 4304/4885NCOA1 1729/4885NCOA3 2784/4885

“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.