SCHEMBL7786452

SCHEMBL7786452

COc1ccc(C(C#N)=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.42
TTR P02766 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AHR P35869 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL7786450 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL7781708 0.86 PDE4A (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7781706 0.86 PDE4A (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4361332 0.86 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4361330 0.86 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7786882 0.85 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7786880 0.85 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28486532 0.85 MAPT (0.50) MAPTALDH1A1MEN1KMT2APTGS2
SCHEMBL7786962 0.85 NPC1 (0.47) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL7786960 0.85 NPC1 (0.47) MAPTALDH1A1KMT2AHTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US claimed
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH MAPT 4475/4885ALDH1A1 160/4885MEN1 4038/4885

“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.